X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.6 289.15 14 % v/v 2-Propanol, 30 % v/v Glycerol, 70 mM Sodium acetate; pH 4.6, 140 mM Calcium chloride
Unit Cell:
a: 66.512 Å b: 163.041 Å c: 88.047 Å α: 90.00° β: 100.75° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.40 Solvent Content: 48.67
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 MOLECULAR REPLACEMENT NONE 2.20 48.01 92375 4485 99.21 0.1926 0.2385 ?
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
2.20 50.00 99.4 0.097 ? 4.0 5.7 ? 92535 ? ? ?
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 2.20 2.24 99.0 ? ? ? 5.7 ?
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 BL19U1 0.97891 SSRF BL19U1
Software
Software Name Purpose Version
PHENIX refinement (1.19.2_4158: ???)
HKL-2000 data scaling .
HKL-2000 data reduction .
MOLREP phasing .
PDB_EXTRACT data extraction .
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