3DKW
Crystal Structure of DNR from Pseudomonas aeruginosa.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.972 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 245.282, 121.466, 82.554 |
| Unit cell angles | 90.00, 97.53, 90.00 |
Refinement procedure
| Resolution | 100.000 - 3.600 |
| R-factor | 0.32819 |
| Rwork | 0.326 |
| R-free | 0.37428 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2z69 |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.254 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 3.790 |
| High resolution limit [Å] | 3.600 | 3.600 |
| Rmerge | 0.170 | 0.486 |
| Number of reflections | 27033 | |
| <I/σ(I)> | 6.7 | 1.9 |
| Completeness [%] | 96.9 | 97.7 |
| Redundancy | 2.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 294 | 20% PEG 3350, 0.2M NH4 Tartrate, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
