X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.0 293.5 4.0M Sodium Formate
Unit Cell:
a: 40.225 Å b: 42.281 Å c: 47.088 Å α: 88.19° β: 64.78° γ: 75.24°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2 Solvent Content: 39
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 FREE R-VALUE 2.20 42.44 11952 581 86.92 0.1882 0.2339 ?
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
1.90 42.44 67.5 0.068 ? 5.5 1.9 ? 14392 ? ? ?
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 1.90 1.94 ? 17.2 ? ? 1.8 ?
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 ALBA BEAMLINE XALOC 0.979 ALBA XALOC
Software
Software Name Purpose Version
PHENIX refinement (2.0_5936: ???)
Aimless data scaling .
XDS data reduction .
MOLREP phasing .
PDB_EXTRACT data extraction .
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