X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 ? 0.1 M PHOSPHATE CITRATE, 2 M AMMONIUM SULPHATE, pH 7.5
Unit Cell:
a: 26.137 Å b: 34.367 Å c: 36.220 Å α: 81.08° β: 87.05° γ: 72.55°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 1.67 Solvent Content: 25.96
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 1.90 35.78 8539 425 96.3 0.164 0.231 12.28
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
1.86 30.00 81.9 0.04 ? 18.70 2.0 ? 8966 ? 1.0 ?
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 1.86 1.94 44.2 ? 11.50 2.0
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 77 K
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ESRF BEAMLINE BM14 ? ESRF BM14
Software
Software Name Purpose Version
REFMAC refinement 5.5.0047
DENZO data reduction .
SCALEPACK data scaling .
AMoRE phasing .
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