X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 291 0.2 M Calcium chloride dihydrate, 0.05 M HEPES pH7.5, 29% v/v Polyethylene glycol 400, 0.002 M Spermine tetrahydrochloride, 0.01 M barium chloride
Unit Cell:
a: 81.741 Å b: 27.837 Å c: 51.671 Å α: 90.000° β: 94.476° γ: 90.000°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.15 Solvent Content: 42.84
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 FREE R-VALUE 1.52 33.24 17019 809 93.59 0.1823 0.2088 22.82
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
1.52 33.24 94.1 0.087 ? 9.300 4.9 ? 17121 ? ? 14.56
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 1.52 1.60 ? ? ? ? ? ?
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 BL02U1 0.979183 SSRF BL02U1
Software
Software Name Purpose Version
PHENIX refinement 1.21.1_5286
autoPROC data reduction .
autoPROC data scaling .
PHASER phasing .
Feedback Form
Name
Email
Institute
Feedback