X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 300 0.9M Sodium phosphate monobasic/0.6M Potassium phosphate dibasic,0.1M CAPS/Sodium hydroxide pH 10.5,0.1M Lithium sulfate
Unit Cell:
a: 129.141 Å b: 45.151 Å c: 48.646 Å α: 90.00° β: 90.45° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.44 Solvent Content: 49.58
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 2.09 32.28 15475 778 91.81 0.2137 0.2444 ?
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
2.09 32.28 96.32 ? ? 12.55 4.3 ? 15867 ? ? ?
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 2.09 2.14 ? ? ? ? ? ?
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 0.97918 SSRF BL02U1
Software
Software Name Purpose Version
PHENIX refinement (1.20.1_4487: ???)
XDS data scaling .
PDB_EXTRACT data extraction .
HKL-3000 data reduction .
PHASER phasing .
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