X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291.15 0.03M Sodium fluoride, 0.03M Sodium bromide, 0.03M Sodium iodide, 0.1 M Sodium HEPES, 0.1 M MOPS (acid), 20% v/v PEG 500 MME, 10% w/v PEG 20000, pH 7.5
Unit Cell:
a: 69.804 Å b: 97.693 Å c: 124.678 Å α: 90.00° β: 93.72° γ: 90.00°
Symmetry:
Space Group: P 1 21 1
Crystal Properties:
Matthew's Coefficient: 2.35 Solvent Content: 47.74
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 1.67 21.90 191052 9445 98.93 0.1793 0.2033 ?
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
1.67 124.42 99.3 0.056 ? 12.7 5.8 ? 191763 ? ? ?
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 1.67 1.71 92.5 ? ? 5.7 3.8 ?
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: ???)
PHASER phasing .
PDB_EXTRACT data extraction .
DIALS data reduction .
Aimless data scaling .
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