X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 ? HEXOKINASE WAS CRYSTALLIZED BY HANGING DROP METHOD AT ROOM TEMPERATURE BY MIXING 20 MG/ ML OF PROTEIN IN 25 MM POTASSIUM PHOSPHATE WITH A PRECIPITANT SOLUTION CONTAINING 5% PEG 8000 AND 0.1 M NA CACODYLATE, PH 6.5. PROTEIN SAMPLES CONTAINED A TRACE AMOUNT OF GLUCOSE LEFT AFTER PURIFICATION.
Unit Cell:
a: 175.090 Å b: 175.090 Å c: 99.470 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 32 2 1
Crystal Properties:
Matthew's Coefficient: 4.3 Solvent Content: 70.
Refinement Statistics
Diffraction ID Structure Solution Method Cross Validation Method Resolution Limit (High) Resolution Limit (Low) Number of Reflections (Observed) Number of Reflections (R-free) Percent Reflections (Observed) R-Work R-Free Mean Isotropic
X-RAY DIFFRACTION MOLECULAR REPLACEMENT THROUGHOUT 2.80 8.00 40612 4128 97.8 0.1740000 0.2410000 33.0
Data Collection
Overall
Resolution Limit (High) Resolution Limit (Low) Percent Possible (Observed) R Merge I (Observed) R Sym I (Observed) Net I Over Average Sigma (I) Redundancy Number Reflections (All) Number Reflections (Observed) Observed Criterion Sigma (F) Observed Criterion Sigma (I) B (Isotropic) From Wilson Plot
2.8 99 98.2 0.0850000 ? 15.5 4.2 ? 42845 ? 0 51.7
Highest Resolution Shell
# Resolution Limits (Low) Resolution Limits (High) Percent Possible (All) Percent Possible (Observed) R-Sym I (Observed) Mean I Over Sigma (Observed) Redundancy Number Unique Reflections (All)
1 2.8 2.9 95.7 ? 4.9 4.0
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 277 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON SSRL BEAMLINE BL7-1 ? SSRL BL7-1
Software
Software Name Purpose Version
X-PLOR model building 3.851
X-PLOR refinement 3.851
DENZO data reduction .
SCALEPACK data scaling .
X-PLOR phasing 3.851
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