X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION ? ? 1UL PROTEIN SOLUTION (10 MG ML-1) WAS MIXED WITH 2UL PRECIPITANT SOLUTION (0.1 M BIS-TRIS PH 5.5, 0.2 M MGCL2, 25% PEG 3350) MICROBATCH
Unit Cell:
a: 136.006 Å b: 156.633 Å c: 71.816 Å α: 90.00° β: 118.03° γ: 90.00°
Symmetry:
Space Group: C 1 2 1
Crystal Properties:
Matthew's Coefficient: 2.29 Solvent Content: 46.42
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 SAD THROUGHOUT 2.12 95.29 71122 3788 99.85 0.15715 0.21007 22.139
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
2.12 95.29 99.5 0.15 ? 13.60 6.8 ? 74828 ? 0.0 ?
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 2.12 2.23 99.9 ? 2.90 6.6
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 ESRF BEAMLINE BM30A ? ESRF BM30A
Software
Software Name Purpose Version
REFMAC refinement 5.6.0117
XDS data reduction .
SCALE data scaling .
SHELX phasing .
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