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 |
