3LMM
Crystal Structure of the DIP2311 protein from Corynebacterium diphtheriae, Northeast Structural Genomics Consortium Target CdR35
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-22 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97901 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 147.306, 102.030, 164.515 |
Unit cell angles | 90.00, 116.00, 90.00 |
Refinement procedure
Resolution | 19.990 - 3.000 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.23100 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SHELX |
Phasing software | SOLVE |
Refinement software | CNS (1.2 & XtalView) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.130 | 0.525 |
Number of reflections | 172016 | |
<I/σ(I)> | 9.8 | 2.2 |
Completeness [%] | 99.7 | 99.4 |
Redundancy | 3.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 291 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), Reservoir solution: 0.1M Na acetate (pH 4.6), 1M 1,6-hexanediol, and 10 mM CoCl2, Microbatch, under oil, temperature 291K |