X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.6 291 0.2M Ammonium sulfate, 0.1M sodium acetate pH 4.6, 30% w/v PEG 2000 MME
Unit Cell:
a: 94.980 Å b: 60.660 Å c: 94.390 Å α: 90.00° β: 108.44° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.72 Solvent Content: 54.73
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 2.43 46.59 19240 1909 98.52 0.1996 0.2480 ?
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
2.43 47.61 99.9 0.195 ? 8.8 4.8 ? 19244 ? ? ?
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 2.43 2.53 ? 100.0 ? ? 4.5 ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 93 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON SSRF BEAMLINE BL02U1 0.97918 SSRF BL02U1
Software
Software Name Purpose Version
PHENIX refinement (1.21.2_5419: ???)
Aimless data scaling .
XDS data reduction .
PHASER phasing .
Feedback Form
Name
Email
Institute
Feedback