X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 293 0.25 CaAcO, 22.5% PEG 3350
Unit Cell:
a: 48.970 Å b: 49.252 Å c: 142.747 Å α: 84.629° β: 86.397° γ: 61.060°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.00 Solvent Content: 38.45
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 1.640 71.147 129266 6352 95.255 ? 0.2100 14.011
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
1.36 71.15 99.18 ? ? 6.65 3.6 ? 234563 ? ? ?
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 1.64 1.68 ? ? ? ? ? ?
Diffraction
Diffraction experiment
Crystal ID Scattering Type Data Collection Temprature Detector Detector Type Details Collection Date Monochromator Protocol
1 90 K ?
Radiation Source
Source Type Wavelength List Synchrotron Site Beamline
SYNCHROTRON ALS BEAMLINE 8.3.1 1.11584 ALS 8.3.1
Software
Software Name Purpose Version
REFMAC refinement 5.8.0267
XDS data reduction .
XSCALE data scaling .
MOLREP phasing .
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