3MEP
Crystal Structure of ECA2234 protein from Erwinia carotovora, Northeast Structural Genomics Consortium Target EwR44
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4C |
Synchrotron site | NSLS |
Beamline | X4C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-11 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97853 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 100.179, 41.930, 148.639 |
Unit cell angles | 90.00, 105.62, 90.00 |
Refinement procedure
Resolution | 36.180 - 2.300 |
R-factor | 0.222 |
Rwork | 0.220 |
R-free | 0.26400 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX (followed by SOLVE/RESOLVE) |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.180 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.082 | 0.369 |
Number of reflections | 51199 | |
<I/σ(I)> | 17.3 | 3.05 |
Completeness [%] | 96.5 | 82.4 |
Redundancy | 2.1 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 0.1M Hepes (pH 7), 16% PEG 8k, and 0.2M sodium nitrate., VAPOR DIFFUSION, HANGING DROP, temperature 291K |