X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 300 0.1 M BIS-TRIS pH5.5,25% w/v Polyethylene glycol 3,000
Unit Cell:
a: 69.510 Å b: 75.040 Å c: 107.720 Å α: 98.91° β: 101.88° γ: 113.71°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.48 Solvent Content: 50.48
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 2.08 27.36 109530 5265 97.00 0.1992 0.2421 ?
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
2.08 27.36 96.96 ? ? 7.3 6 ? 109557 ? ? ?
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 2.08 9.30 ? ? ? ? ? ?
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 0.9792 SSRF BL19U1
Software
Software Name Purpose Version
PHENIX refinement (1.18.2_3874: ???)
HKL-2000 data scaling .
HKL-2000 data reduction .
PHASER phasing .
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