3LB8
Crystal structure of the covalent putidaredoxin reductase-putidaredoxin complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 103 |
Detector technology | CCD |
Collection date | 2007-10-26 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.600, 103.400, 167.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.500 - 2.600 |
R-factor | 0.244 |
Rwork | 0.244 |
R-free | 0.27200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q1r |
RMSD bond length | 0.015 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.500 | 2.760 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.053 | 0.179 |
Number of reflections | 36524 | |
<I/σ(I)> | 25.3 | 5.6 |
Completeness [%] | 98.6 | 99.9 |
Redundancy | 3.8 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 298 | 1.3 M malonate, pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |