X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 291 0.1M HEPES sodium pH 7.5, 1.4M sodium citrate tribasic dehydrate, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Unit Cell:
a: 33.580 Å b: 39.571 Å c: 41.481 Å α: 90.00° β: 90.60° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 1.95 Solvent Content: 36.97
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 ? 1.708 41.479 11832 566 99.00 0.1725 0.2117 ?
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
1.70 50.00 97.8 0.096 0.096 15.14 4.7 12120 11851 0 -3 ?
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 1.70 1.76 82.5 ? 0.347 3.922 4.7 988
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 0.97930 SSRF BL17U
Software
Software Name Purpose Version
Blu-Ice data collection .
AMoRE phasing .
PHENIX refinement (phenix.refine: 1.7.3_928)
HKL-2000 data reduction .
HKL-2000 data scaling .
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