X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 10.5 286 1.128M NaH2PO4, 0.752M K2HPO4, 0.1M CAPS pH 10.5, 0.19M Li2SO4, 6%(v/v) glycerol , VAPOR DIFFUSION, SITTING DROP, temperature 286K
Unit Cell:
a: 160.210 Å b: 160.210 Å c: 45.120 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 43 21 2
Crystal Properties:
Matthew's Coefficient: 4.19 Solvent Content: 70.67
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 THROUGHOUT 2.90 56.71 12620 662 97.63 0.25373 0.28695 55.258
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
2.9 56.71 98.1 0.120 ? 12.9 10.5 13568 13311 12.9 12.9 ?
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
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 0.9791 SSRF BL17U
Software
Software Name Purpose Version
HKL-2000 data collection .
PHENIX model building .
REFMAC refinement 5.7.0032
MOSFLM data reduction .
SCALA data scaling .
PHENIX phasing .
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