2BW4
Atomic Resolution Structure of Resting State of the Achromobacter cycloclastes Cu Nitrite Reductase
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 | 2005-01-30 |
Detector | MARRESEARCH |
Spacegroup name | P 21 3 |
Unit cell lengths | 95.414, 95.414, 95.414 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.480 - 0.900 |
R-factor | 0.118 |
Rwork | 0.117 |
R-free | 0.13400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nif |
RMSD bond length | 0.018 |
RMSD bond angle | 2.167 |
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] | 19.500 | 0.920 |
High resolution limit [Å] | 0.900 | 0.900 |
Rmerge | 0.060 | 0.550 |
Number of reflections | 208276 | |
<I/σ(I)> | 24 | 2 |
Completeness [%] | 98.1 | 85.9 |
Redundancy | 5.2 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 1.6M AMMONIUM SULPHATE, 100MM SODIUM ACETATE, PH 4.75 |