3O5A
Crystal Structure of partially reduced Periplasmic Nitrate Reductase from Cupriavidus necator using Ionic Liquids
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-29 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.933 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 119.400, 71.410, 128.410 |
Unit cell angles | 90.00, 121.04, 90.00 |
Refinement procedure
Resolution | 27.630 - 1.720 |
R-factor | 0.14473 |
Rwork | 0.143 |
R-free | 0.18150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nap |
RMSD bond length | 0.028 |
RMSD bond angle | 2.310 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.340 | 1.810 |
High resolution limit [Å] | 1.720 | 1.720 |
Number of reflections | 97895 | |
Completeness [%] | 99.6 | 99.6174 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 293 | 15% PEG 3350, 0.2M sodium formate, 0.4M [C4MIM]Cl-, pH 7.0, VAPOR DIFFUSION, temperature 293K |