X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 287.15 0.16M MgCl2, 0.08M Tris-HCl(pH8.5), 28% PEG 4000, 20% Glycerol
Unit Cell:
a: 103.532 Å b: 57.690 Å c: 48.980 Å α: 90.00° β: 112.39° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.02 Solvent Content: 39.10
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 1.75 49.41 23523 1189 87.08 0.1745 0.2132 ?
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
1.75 50.00 97.7 0.095 ? 9.4 5.7 ? 26676 ? ? ?
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 1.75 1.78 94.9 ? ? ? 4.0 ?
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 reduction .
PHASER phasing .
PDB_EXTRACT data extraction .
HKL-2000 data scaling .
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