4MCU
Crystal structure of disulfide oxidoreductase from Klebsiella pneumoniae in reduced state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Detector technology | CCD |
| Collection date | 2011-05-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95369 |
| Spacegroup name | P 32 |
| Unit cell lengths | 91.540, 91.540, 147.211 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 53.900 - 1.990 |
| R-factor | 0.1676 |
| Rwork | 0.162 |
| R-free | 0.19620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dsb |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.740 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.900 | 2.100 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.101 | 0.566 |
| Number of reflections | 94740 | |
| <I/σ(I)> | 11.1 | 2.9 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.6 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 293 | succinic acid, polyethylene glycol 1500 and 2-methyl-2,4-pentanediol, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
