X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 8.5 277 CRYSTALLISED IN 30% PEG 4K, 0.1 M TRIS PH 8.8 AT 277K. SOAKED IN 30% PEG 4K, 0.1 M TRIS PH 8.5, 1 MM MNCL2, 5 MM VAL-PRO-LEU, 10% MPD FOR 30 MIN AT 277K IMMEDIATELY PRIOR TO DATA COLLECTION.
Unit Cell:
a: 177.695 Å b: 177.695 Å c: 96.433 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 64 2 2
Crystal Properties:
Matthew's Coefficient: 4.4 Solvent Content: 72.1
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 1.56 29.66 121838 3825 99.4 0.140 0.150 10.84
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
1.56 50.00 99.4 0.07 ? 32.50 11 ? 125677 ? -3.0 17.78
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 1.56 1.62 99.8 ? 4.30 10.0 ?
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 APS BEAMLINE 23-ID-B ? APS 23-ID-B
Software
Software Name Purpose Version
REFMAC refinement 5.2.0019
DENZO data reduction .
SCALEPACK data scaling .
REFMAC phasing .
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