5LGX
Structure of Oxidised Pentaerythritol Tetranitrate Reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-02 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.760, 68.587, 88.574 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.820 - 1.500 |
R-factor | 0.15811 |
Rwork | 0.156 |
R-free | 0.20016 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h50 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.082 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.820 | 1.520 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.130 | 0.440 |
Number of reflections | 53305 | |
<I/σ(I)> | 10.1 | |
Completeness [%] | 94.3 | |
Redundancy | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 25 % PEG 3000, 0.1 M sodium citrate, 0.1 M cacodylate pH 6.2, 17 % isopropanol |