X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 5.8 295 90 mM sodium citrate, 20% (w/v) PEG 6000, 0.7% n-butanol, pH 5.8, sitting drop, temperature 295K, VAPOR DIFFUSION, SITTING DROP
Unit Cell:
a: 77.240 Å b: 77.240 Å c: 121.791 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 31 2 1
Crystal Properties:
Matthew's Coefficient: 2.54 Solvent Content: 51.50
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 1.9000 15.46200 33316 1684 98.6000 0.2201 0.2565 41.5360
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
1.900 15.462 98.700 ? 0.090 12.700 9.000 33356 33356 ? ? ?
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 1.900 2.000 92.800 ? 1.158 0.700 3.800 4496
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
ROTATING ANODE RIGAKU MICROMAX-007 HF 1.54187 ? ?
Software
Software Name Purpose Version
SCALA data scaling 3.3.20
PHASER phasing 2.5.1
REFMAC refinement .
PDB_EXTRACT data extraction 3.11
MOSFLM data reduction .
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