X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 298 0.1 M Hepes, 1.4 M sodium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Unit Cell:
a: 43.199 Å b: 48.789 Å c: 61.593 Å α: 66.690° β: 89.280° γ: 89.980°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 1.99 Solvent Content: 38.09
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 SAD, MOLECULAR REPLACEMENT THROUGHOUT 2.2000 19.9300 22916 1160 97.9300 0.2132 0.2888 50.622
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
2.050 50.000 97.200 0.073 ? 11.600 2.900 ? 28005 ? ? ?
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 2.050 2.090 87.700 ? ? ? 2.400 1213
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 0.9791 NSLS X29A
Software
Software Name Purpose Version
SCALEPACK data scaling .
PHASER phasing 2.1.4
REFMAC refinement 5.5.0109
PDB_EXTRACT data extraction 3.10
CBASS data collection .
HKL-2000 data reduction .
PHENIX phasing .
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