X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 298 112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate
Unit Cell:
a: 58.592 Å b: 46.194 Å c: 62.622 Å α: 90.000° β: 112.660° γ: 90.000°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.00 Solvent Content: 38.61
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 1.5600 36.0800 42785 2120 96.7100 0.1754 0.1951 22.9000
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
1.560 46.190 96.900 0.071 ? 11.300 3.200 ? 42800 ? ? 19.490
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 1.560 1.590 76.900 ? ? 1.500 2.400 1688
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 DIAMOND BEAMLINE I03 0.9795 Diamond I03
Software
Software Name Purpose Version
Aimless data scaling 0.5.4
PHASER phasing 2.5.7
BUSTER refinement 2.10.1
PDB_EXTRACT data extraction 3.15
XDS data reduction .
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