X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? 291 0.2 M NaCl, 0.2 M CaCl2, 0.1 M tri-Sodium-citrate pH=5.5, 1 M di-ammonium hydrogen phosphate
Unit Cell:
a: 97.930 Å b: 97.930 Å c: 80.404 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: P 65
Crystal Properties:
Matthew's Coefficient: 3.11 Solvent Content: 60.42
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 1.95 41.82 32032 1630 99.77 0.1626 0.1927 40.35
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
1.94 41.82 99.77 0.047 ? 20.6 5.3 ? 32068 ? ? 34.34
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 1.94 2.04 99.94 ? ? ? ? ?
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 ALS BEAMLINE 8.2.1 0.9999 ALS 8.2.1
Software
Software Name Purpose Version
Coot model building .
PHENIX refinement 1.20.1_4487
autoPROC data processing .
autoPROC data scaling .
PHASER phasing .
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