X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 281 PROTEIN WAS CRYSTALLIZED AT 8 DEGREES IN 50MM HEPES PH 7.5, 6-8% PEG 4000, 5MM BETA- MERCAPTOETHANOL, temperature 281K
Unit Cell:
a: 114.130 Å b: 114.130 Å c: 32.590 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: I 4
Crystal Properties:
Matthew's Coefficient: 3.53 Solvent Content: 60.0
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 MAD THROUGHOUT 1.75 50.00 21532 1052 99.7 0.2140000 0.2360000 24.30
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
1.750 50.000 99.8 0.0620000 0.0540000 8.0000 7.800 ? 21532 ? 0.000 17.10
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 1.75 1.83 99.8 0.2300000 3.300 7.50
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 110.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON NSLS BEAMLINE X8C ? NSLS X8C
Software
Software Name Purpose Version
CNS refinement 0.3
SOLVE phasing .
DENZO data reduction .
MOSFLM data reduction .
CCP4 data scaling .
CNS phasing 0.3
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