X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 PEG6000, MES, MPD
Unit Cell:
a: 64.050 Å b: 74.653 Å c: 95.908 Å α: 85.01° β: 86.05° γ: 73.17°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.42 Solvent Content: 49.27
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 SAD FREE R-VALUE 2.22 35.52 81990 ? 98.33 0.2568 0.3198 ?
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
2.22 35.522 98.5 0.2457 ? 2.84 3.3 ? 82126 ? ? ?
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 2.22 2.30 97.5 ? ? ? 3.04 ?
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 SSRF BEAMLINE BL19U1 0.97946 SSRF BL19U1
Software
Software Name Purpose Version
PHENIX refinement v1.16
autoPX data processing .
autoPX data reduction .
PHASER phasing .
PHASER phasing .
PDB_EXTRACT data extraction .
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