X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.6 291 PEG 4000, Glycerol, 2-propanol, Sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Unit Cell:
a: 57.740 Å b: 99.920 Å c: 59.610 Å α: 90.000° β: 97.920° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.32 Solvent Content: 47.04
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 ? 2.3500 49.6340 27538 1378 98.4600 0.2169 0.2677 38.6700
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
2.100 49.634 96.600 0.204 ? 5.260 3.0 ? 37583 ? -3.000 19.640
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 2.100 2.160 74.600 ? ? 1.380 ? ?
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 BM30A 0.979738 ESRF BM30A
Software
Software Name Purpose Version
XSCALE data scaling .
PHASER phasing 2.5.2
PHENIX refinement 1.8.2_1309
PDB_EXTRACT data extraction 3.14
XDS data scaling .
XDS data reduction .
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