2DWT
Cu-containing nitrite reductase at pH 6.0 with bound nitrite
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-04-27 |
Detector | MAR CCD 165 mm |
Spacegroup name | H 3 |
Unit cell lengths | 74.740, 74.740, 153.146 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.710 - 1.900 |
Rwork | 0.199 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zv2 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.878 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 24.710 | 37.370 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.060 | 0.035 | 0.363 |
Total number of observations | 2415 | 11504 | |
Number of reflections | 24972 | ||
<I/σ(I)> | 7.2 | 17.2 | 1.8 |
Completeness [%] | 99.3 | 93.6 | 100 |
Redundancy | 3.2 | 3.2 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | Tris, MgCl2, NaNO2, PEG 4000, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |