X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293.15 0.1M Sodium citrate tribasic, pH 5.0; 13% w/v PEG 20,000
Unit Cell:
a: 47.760 Å b: 69.685 Å c: 75.430 Å α: 83.61° β: 82.67° γ: 89.90°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 3.26 Solvent Content: 62.31
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 2.10 39.36 48589 2587 91.46 0.19799 0.22820 47.105
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
2.10 47.37 91.5 0.144 ? 7.6 3.6 ? 51184 ? ? ?
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 2.10 2.16 91.1 ? ? 1.1 3.8 ?
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 ALS BEAMLINE 4.2.2 1.000034 ALS 4.2.2
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430
Aimless data scaling .
XDS data reduction .
MOLREP phasing .
PDB_EXTRACT data extraction .
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