2BWI
Atomic Resolution Structure of Nitrite -soaked Achromobacter cycloclastes Cu Nitrite Reductase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-04-08 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 95.224, 95.224, 95.224 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.100 |
| R-factor | 0.121 |
| Rwork | 0.120 |
| R-free | 0.14500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bw4 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.995 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.9999) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.070 | 0.670 |
| Number of reflections | 113799 | |
| <I/σ(I)> | 18 | 2 |
| Completeness [%] | 98.2 | 88.8 |
| Redundancy | 4.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.75 | 1.6M AMMONIUM SULPHATE, 10MM SODIUM ACETATE, PH 4.75 |
