X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 293 1:1 volume ratio of protein solution (50 mg/mL) and reservoir solution (30% PEG MME 550, 0.2 M Ammonium sulfate, 0.1 M Sodium cacodylate pH 6.5), VAPOR DIFFUSION, HANGING DROP, temperature 293K
Unit Cell:
a: 39.944 Å b: 43.640 Å c: 49.595 Å α: 66.50° β: 90.00° γ: 90.02°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 1.88 Solvent Content: 34.75
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 1.15 25.00 98073 5145 94.57 0.17882 0.21182 19.976
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
1.15 25.00 94.6 ? 0.060 22.0 5.1 103829 103829 ? -3 ?
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 1.15 1.19 91.8 ? 0.651 2.48 3.7 10043
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 CHESS BEAMLINE F1 0.91790 CHESS F1
Software
Software Name Purpose Version
REFMAC refinement 5.2.0019
HKL-2000 data collection .
HKL-2000 data reduction .
HKL-2000 data scaling .
PHASER phasing .
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