X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.3 292 0.15 M L-arginine-HCl, 0.1M Tris-HCl pH 7.3, 2.4-2.7% PEG-20K, 7-9% MPD, 0.5 mM BME
Unit Cell:
a: 209.655 Å b: 448.741 Å c: 623.994 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 2.86 Solvent Content: 61.62
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 THROUGHOUT 3.5000 49.8900 721113 36323 98.4200 0.2464 0.2941 135.7269
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
3.500 49.890 98.700 0.330 ? 4.480 4.661 ? 725815 ? ? 112.750
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 3.500 3.710 97.300 ? ? 0.640 4.681 ?
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 APS BEAMLINE 24-ID-C 0.97910 APS 24-ID-C
Software
Software Name Purpose Version
PHENIX refinement 1.13_2998
XDS data reduction .
XSCALE data scaling .
Coot model building 0.8.2
PDB_EXTRACT data extraction 3.25
PHASER phasing .
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