X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 7.5 293.15 0.2 M Potassium Formate, 20% (w/v) PEG 3350, 5% MPD
Unit Cell:
a: 101.165 Å b: 101.165 Å c: 49.909 Å α: 90.00° β: 90.00° γ: 120.00°
Symmetry:
Space Group: P 1
Crystal Properties:
Matthew's Coefficient: 2.53 Solvent Content: 51.46
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 NONE 3.20 9.98 27109 3624 99.1 0.225 0.295 ?
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
3.2 49 99.1 ? ? 8.5 2 ? 27109 ? ? ?
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 3.2 3.42 ? ? ? ? ? ?
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 RRCAT INDUS-2 BEAMLINE PX-BL21 0.980 RRCAT INDUS-2 PX-BL21
Software
Software Name Purpose Version
PHENIX refinement 1.9_1692
XDS data reduction .
Aimless data scaling .
PHENIX phasing .
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