X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 295 30% PEG 1000, 0.2 M LiNO3
Unit Cell:
a: 84.072 Å b: 122.32 Å c: 105.615 Å α: 90° β: 90° γ: 90°
Symmetry:
Space Group: C 2 2 21
Crystal Properties:
Matthew's Coefficient: 1.99 Solvent Content: 38.14
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 2.1 24.73 31891 1638 99.3 0.2410 0.2773 43.15
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
1.76 61.16 94.1 0.078 ? 14.3 10.1 ? 43995 ? ? ?
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 1.76 1.88 56.4 ? ? 1.4 12.3 ?
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 SLS BEAMLINE X06SA 1.000043 SLS X06SA
Software
Software Name Purpose Version
BUSTER refinement 2.11.8
XDS data reduction .
XSCALE data scaling .
PHASER phasing .
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