X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.7 277 0.042M MOPS, 0.058M Na HEPES, 0.03M Sodium nitrate, 0.03M Sodium phosphate dibasic, 0.03M Ammonium sulfate, 20% ethylene glycol, 10% PEG 8000
Unit Cell:
a: 210.157 Å b: 210.157 Å c: 110.459 Å α: 90° β: 90° γ: 120°
Symmetry:
Space Group: P 62 2 2
Crystal Properties:
Matthew's Coefficient: 4.54 Solvent Content: 72.92
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 2.75 70.24 37656 1838 99.67 0.1998 0.2348 ?
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
2.75 94.4 99.7 0.148 ? 13.0 18.9 ? 37739 ? ? ?
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 2.75 2.80 98.71 ? ? 1.0 20.3 ?
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 ALS BEAMLINE 5.0.3 0.976 ALS 5.0.3
Software
Software Name Purpose Version
BOS data collection .
DIALS data scaling 3.19
DIALS data reduction 3.19
PHASER phasing 2.8.3
PHENIX refinement 1.18.2_3874: ???
REFMAC refinement 5
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