X-RAY DIFFRACTION

Crystallization Details
Method pH Temprature Details
X-RAY DIFFRACTION 6.5 293 2 mcL protein (6 mg/mL) + 2 mcL well 0.1 M MES buffer pH 6.5, 1.6 M MgSO4 (directly from the commercially available kit Hampton Crystal Screen II, formulation 20)
Unit Cell:
a: 81.691 Å b: 81.691 Å c: 33.780 Å α: 90.000° β: 90.000° γ: 120.000°
Symmetry:
Space Group: H 3
Crystal Properties:
Matthew's Coefficient: 1.86 Solvent Content: 34.02
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 1.8000 13.6200 7264 364 98.0100 0.1865 0.2263 24.9020
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
1.800 13.620 99.800 0.103 ? 8.500 4.100 ? 7764 ? ? ?
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 1.800 1.840 99.800 ? ? 2.000 2.200 437
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
SEALED TUBE OXFORD DIFFRACTION ENHANCE ULTRA 1.5418 ? ?
Software
Software Name Purpose Version
Aimless data scaling 0.1.26
MOLREP phasing .
REFMAC refinement 5.7.0029
PDB_EXTRACT data extraction 3.15
CrysalisPro data collection .
CrysalisPro data reduction .
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