X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 298 107mM Mes pH 6.5, 29% glycerol ethoxylate, 1 M ammonium acetate
Unit Cell:
a: 64.296 Å b: 69.150 Å c: 334.009 Å α: 90.000° β: 90.000° γ: 90.000°
Symmetry:
Space Group: C 2 2 21
Crystal Properties:
Matthew's Coefficient: 2.24 Solvent Content: 45.05
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 1.590 83.5000 100077 5042 98.6500 0.1937 0.2067 45.3200
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
1.590 111.340 99.500 0.032 ? 20.300 3.700 ? 100179 ? ? 25.480
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 1.590 1.680 99.900 ? ? 2.500 3.700 14562
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 I02 0.9188 Diamond I02
Software
Software Name Purpose Version
Aimless data scaling 0.2.14
PHASER phasing .
BUSTER-TNT refinement .
PDB_EXTRACT data extraction 3.15
XDS data reduction .
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