X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.10 ? 10 MG/ML PROTEIN SOLUTION CONTAINING 3-FOLD EXCESS OF INHIBITOR. 0.1 M HEPES PH 7.1, 25% W/W PEG-MME 2000, 0.8 M SODIUM FORMATE
Unit Cell:
a: 62.830 Å b: 62.830 Å c: 121.527 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 41
Crystal Properties:
Matthew's Coefficient: 2.0 Solvent Content: 40
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 2.4 40.0 18324 934 100 0.196 0.295 36.8
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
2.400 40.000 100.0 0.09800 ? 16.0000 4.900 ? 18324 ? ? ?
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 2.40 2.44 95.0 ? 1.400 2.80
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 120.0 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ESRF BEAMLINE ID14-4 ? ESRF ID14-4
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
AMoRE phasing .
MOLREP phasing .
REFMAC refinement .
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