X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 290 0.25M Ammonium sulfate 0.1M Sodium cacodylate trihydrate pH 6.5 30% w/v Polyethylene glycol 8,000
Unit Cell:
a: 40.693 Å b: 47.311 Å c: 66.431 Å α: 86.34° β: 73.58° γ: 84.07°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.71 Solvent Content: 54.58
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 2.05 47.07 27280 1391 96.35 0.20737 0.25439 39.480
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
2.05 47.07 96.3 ? ? 11.2 3.3 ? 28673 ? ? ?
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 2.05 2.16 ? ? ? ? ? ?
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 BL18U1 0.97853 SSRF BL18U1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0267
PDB_EXTRACT data extraction .
HKL-3000 data reduction .
HKL-3000 data scaling .
PHASER phasing .
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