X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.4 291 0.1M sodium formate, 10% PEG 3350, pH 7.4, vapor diffusion, sitting drop, temperature 291K
Unit Cell:
a: 61.197 Å b: 77.371 Å c: 92.197 Å α: 67.710° β: 73.620° γ: 86.030°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.12 Solvent Content: 41.99
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 2.00 20.000 95775 4781 93.7600 0.1995 0.2349 29.7476
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
2.000 20.000 94.200 0.059 ? 11.200 3.200 ? 95778 ? ? ?
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 2.000 2.070 78.900 ? ? ? 3.100 8048
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 100 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON NSLS BEAMLINE X29A 1.0809 NSLS X29A
Software
Software Name Purpose Version
DENZO data reduction .
SCALEPACK data scaling .
MOLREP phasing .
REFMAC refinement 5.5.0109
PDB_EXTRACT data extraction 3.10
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