X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 291 0.2M Sodium formate(PH7.0), 20% (w/v) Polyethylene glycol 3350
Unit Cell:
a: 66.552 Å b: 79.898 Å c: 97.958 Å α: 78.004° β: 71.237° γ: 76.285°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.66 Solvent Content: 53.73
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 2.530 91.798 55838 2814 91.013 ? 0.2770 64.717
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
2.53 91.80 96 ? ? 10.8 1.8 ? 55839 ? ? ?
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 2.53 2.60 ? ? ? ? ? ?
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
ROTATING ANODE RIGAKU MICROMAX-007 HF 0.97853 ? ?
Software
Software Name Purpose Version
REFMAC refinement 5.8.0430
HKL-3000 data reduction .
HKL-3000 data scaling .
PHASER phasing .
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