6AIO
Crystal structure of p-nitrophenol 4-monooxygenase PnpA from Pseudomonas putida DLL-E4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.5397 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.845, 76.323, 208.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.040 |
| R-factor | 0.17532 |
| Rwork | 0.173 |
| R-free | 0.21705 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ihg |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.840 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.110 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.052 | 0.095 |
| Number of reflections | 55036 | 5337 |
| <I/σ(I)> | 25.09 | |
| Completeness [%] | 99.1 | |
| Redundancy | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10% isopropanol, 0.1M Tris-HCl, pH 8.5, 13.5 % (w/v) PEG 4000, 5% glycerol |
