X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 4.6 291 MICROBATCH USING 1.0 MICROLITER DROPS CONTAINING EQUAL VOLUMES OF PROTEIN CONCENTRATE (5.09 mg/ml) AND SOLUTION CONTAING 30% w/v PEG 4000, 0.1 M SODIUM ACETATE, 0.2 M AMMONIUM ACETATE PH 4.6, TEMPERATURE 291K
Unit Cell:
a: 53.571 Å b: 59.823 Å c: 69.685 Å α: 90.00° β: 90.00° γ: 90.00°
Symmetry:
Space Group: P 21 21 21
Crystal Properties:
Matthew's Coefficient: 1.79 Solvent Content: 31.4
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 SAD THROUGHOUT 1.52 19.18 33392 1766 99.93 0.18966 0.21313 14.190
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
1.52 50 100.0 ? 0.061 ? 14.1 35234 35234 ? 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 1.52 1.57 100.0 ? 0.17 22.5 13.1 3479
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 22-ID 0.9724 APS 22-ID
Software
Software Name Purpose Version
SGXPRO model building .
REFMAC refinement 5.2.0019
MAR345 data collection CCD
HKL-2000 data reduction .
HKL-2000 data scaling .
SGXPRO phasing .
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