X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 PEG 4000, 100 mM ammonium phosphate dibasic, 100 mM citrate pH 4.2
Unit Cell:
a: 52.995 Å b: 53.132 Å c: 74.711 Å α: 88.53° β: 69.80° γ: 83.80°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.36 Solvent Content: 47.80
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 1.90 35.11 55418 1990 92.44 0.1700 0.2213 ?
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 92.5 0.083 ? 8.9 3.7 ? 55428 ? ? ?
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 ? 93.7 ? ? 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 1.00 ALS 4.2.2
Software
Software Name Purpose Version
PHENIX refinement 1.21
Aimless data scaling .
DIALS data reduction .
PHENIX phasing .
PDB_EXTRACT data extraction .
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