1NXU
CRYSTAL STRUCTURE OF E. COLI HYPOTHETICAL OXIDOREDUCTASE YIAK NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER82.
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97896, 0.9791, 0.9200 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.012, 51.229, 108.930 |
Unit cell angles | 90.00, 103.78, 90.00 |
Refinement procedure
Resolution | 29.000 * - 2.000* |
R-factor | 0.192 |
Rwork | 0.192 |
R-free | 0.22200 * |
Structure solution method | MAD |
RMSD bond length | 0.005 |
RMSD bond angle | 22.100 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.900 | |
High resolution limit [Å] | 2.000 | |
Rmerge | 0.108 * | 0.461 * |
Total number of observations | 312251 * | |
Number of reflections | 66809 * | |
<I/σ(I)> | 13.2 | |
Completeness [%] | 99.0 * | 99 * |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 29 * | 0.2 M LiSO4, 19% PEG 3350, 1mM B-NADH, VAPOR DIFFUSION, HANGING DROP, temperature 302K, pH 7.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG3350 | 19 (%(w/v)) | |
2 | 1 | reservoir | lithium sulfate | 200 (mM) | |
3 | 1 | reservoir | dithiothreitol | 10 (mM) | |
4 | 1 | drop | protein | 16 (mg/ml) |