X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 0.1 M Magnesium chloride hexahydrate, 0.1 M Sodium HEPES 7.5, 10% w/v PEG 4000
Unit Cell:
a: 67.365 Å b: 67.365 Å c: 243.853 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 63
Crystal Properties:
Matthew's Coefficient: 2.86 Solvent Content: 56.95
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 2.62 37.42 17744 875 94.89 0.2324 0.2567 104.67
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
2.6 50 93.5 0.137 0.137 13.333 5.8 ? 17873 ? ? 83.55
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 2.6 2.69 ? ? ? ? ? ?
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 BL17U 1.0000 SSRF BL17U
Software
Software Name Purpose Version
PHENIX refinement 2.1_6048
HKL-2000 data collection 1.20.1 4487
autoPROC data processing .
PHASER phasing .
HKL-2000 data reduction .
HKL-2000 data scaling .
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