2BWD
Atomic Resolution Structure of Achromobacter cycloclastes Cu Nitrite Reductase with Endogenously bound Nitrite and NO
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 | 96.237, 96.237, 96.237 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.150 |
| R-factor | 0.114 |
| Rwork | 0.113 |
| R-free | 0.14400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bw4 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.018 |
| 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] | 30.000 | 1.190 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.060 | 0.420 |
| Number of reflections | 103981 | |
| <I/σ(I)> | 19 | 2 |
| Completeness [%] | 98.9 | 97.7 |
| Redundancy | 3.1 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.75 | 1.6 M AMMONIUM SULPHATE, 100MM SODIUM ACETATE, PH 4.75 |
