3DQP
Crystal structure of the oxidoreductase ylbE from Lactococcus lactis, Northeast Structural Genomics Consortium Target KR121.
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 | 2008-07-02 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97862 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 50.567, 34.790, 66.379 |
Unit cell angles | 90.00, 102.91, 90.00 |
Refinement procedure
Resolution | 9.840 - 1.400 |
R-factor | 0.165 |
Rwork | 0.165 |
R-free | 0.16700 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.060 | 0.234 |
Number of reflections | 78964 | |
<I/σ(I)> | 23.6 | 4.59 |
Completeness [%] | 90.4 | 99.7 |
Redundancy | 3.3 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microbatch, under oil | 7.5 | 291 | Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, and 5 mM DTT. Reservoir solution: 0.1M HEPES (pH 7.5), 40% PEG 20K, and 0.1M NaMolybdate., microbatch, under oil, temperature 291K |