1N90
FOLLOWING THE C HEME REDUCTION IN NITRITE REDUCTASE FROM PSEUDOMONAS AERUGINOSA
Experimental procedure
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1998-05 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 164.370, 89.530, 112.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.000 - 2.900 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.24100 |
Starting model (for MR) | OXIDIZED NITRITE REDUCTASE FROM PS. AERUGINOSA |
RMSD bond length | 0.009 |
RMSD bond angle | 25.218 * |
Data reduction software | DENZO |
Data scaling software | CCP4 |
Phasing software | X-PLOR (3.8) |
Refinement software | X-PLOR (3.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.820 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.066 * | 0.254 * |
Number of reflections | 42660 | |
<I/σ(I)> | 3.7 | 2.7 |
Completeness [%] | 98.0 | 98.7 |
Redundancy | 4.4 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 8.4 * | pH 7.2 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | Na/K phosphate | 2 (M) | |
2 | 1 | 1 | Tris-HCl | 50 (mM) |