X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.6 293 Tris-HCl pH 7.6, PEG 20,000, 2-methyl-2,4-pentanediol, L-arginine
Unit Cell:
a: 209.680 Å b: 449.250 Å c: 621.900 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 3.43 Solvent Content: 64.17
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 3.2000 49.7570 941410 47069 98.5800 0.1929 0.2516 57.9000
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
3.200 49.757 98.600 0.393 ? 4.080 7.058 ? 941634 ? ? 75.880
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 3.200 3.280 98.600 ? ? 1.000 7.246 ?
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 ESRF BEAMLINE ID23-1 0.972422 ESRF ID23-1
Software
Software Name Purpose Version
PHENIX refinement 1.8.1_1168
XSCALE data scaling .
PDB_EXTRACT data extraction 3.24
XDS data reduction .
PHENIX phasing .
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