5AKR
ATOMIC RESOLUTION STRUCTURE OF NITRITE BOUND STATE OF THE ACHROMOBACTER CYCLOCLASTES CU NITRITE REDUCTASE AT 0.87 A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-19 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 94.948, 94.948, 94.948 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.410 - 0.870 |
| R-factor | 0.10984 |
| Rwork | 0.109 |
| R-free | 0.12714 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bw4 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.998 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.000 | 0.900 |
| High resolution limit [Å] | 0.870 | 0.870 |
| Rmerge | 0.060 | 0.460 |
| Number of reflections | 231231 | |
| <I/σ(I)> | 32 | 3 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 7.2 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.75 | 1.6M AMMONIUM SULPHATE, 100MM SODIUM ACETATE, PH 4.75 |
