X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 281 0.1 M Magnesium chloride, 0.05 M Tris-HCl pH 8.5, 30% PEG 550 MME
Unit Cell:
a: 73.688 Å b: 73.688 Å c: 95.845 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 31
Crystal Properties:
Matthew's Coefficient: 5.03 Solvent Content: 75.55
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 2.70 22.58 15918 837 99.82 0.3006 0.3815 ?
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
2.70 24.04 99.7 0.110 ? 10.9 6.3 ? 16132 ? ? ?
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 2.70 2.83 ? 99.3 ? ? 4.6 ?
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 SSRF BEAMLINE BL19U1 0.987 SSRF BL19U1
Software
Software Name Purpose Version
PHENIX refinement (1.21_5207: ???)
Aimless data scaling .
HKL-3000 data reduction .
PHASER phasing .
Feedback Form
Name
Email
Institute
Feedback