X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 287.15 0.16M MgCl2, 0.08M Tris-HCl(pH 8.5), 24% PEG 4000, 20% Glycerol
Unit Cell:
a: 104.676 Å b: 57.658 Å c: 49.201 Å α: 90.00° β: 112.66° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.05 Solvent Content: 39.88
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 1.91 49.51 17889 924 84.19 0.1940 0.2395 ?
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
1.90 50.00 96.4 0.101 ? 18.2 5.0 ? 20097 ? ? ?
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 1.90 1.93 95.3 ? ? ? 3.8 ?
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 PAL/PLS BEAMLINE 11C 0.97942 PAL/PLS 11C
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487: ???)
HKL-2000 data scaling .
HKL-2000 data reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
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