X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.0 293.15 Sodium cacodylate pH 7.0, spermine tetrahydrochloride, 2-methyl-2,4-pentanediol (MPD), MgSO4, KCl.
Unit Cell:
a: 31.690 Å b: 57.180 Å c: 47.700 Å α: 78.920° β: 109.440° γ: 123.610°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: ? Solvent Content: ?
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 NONE 3.0410 44.9790 5004 991 96.8700 0.1912 0.2614 97.5302
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
3.040 45 98.500 0.090 ? 7.050 3.1 5004 5004 ? -3.000 68.870
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 3.040 3.120 100 ? ? 2.130 3.1 ?
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 ID14-4 0.9394 ESRF ID14-4
Software
Software Name Purpose Version
XDS data reduction .
XSCALE data scaling .
PHASER phasing .
PHENIX refinement .
Coot model building .
PDB_EXTRACT data extraction 3.15
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