X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293.15 1:2 MPD: EtOH, Hepes pH=7.6 10mM, Mg2Cl 10mM, KCl 60mM, NH4Cl 15mM
Unit Cell:
a: 280.885 Å b: 280.885 Å c: 873.522 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 65 2 2
Crystal Properties:
Matthew's Coefficient: 3.72 Solvent Content: 66.92
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 3.6600 50 218823 10831 98.2100 0.1896 0.2340 113.4400
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
3.64 50 98 0.237 ? 9.08 10 ? 223602 ? 9.08 ?
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 . ? 78.1 ? ? 1.37 4.4 ?
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 ID29 0.971 ESRF ID29
Software
Software Name Purpose Version
HKL-2000 data reduction .
XSCALE data scaling .
PHENIX refinement .
PDB_EXTRACT data extraction 3.15
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