4GO3
Crystal structure of PnpE from Pseudomonas sp. WBC-3
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 | 2010-03-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.531, 144.252, 138.288 |
| Unit cell angles | 90.00, 93.59, 90.00 |
Refinement procedure
| Resolution | 41.684 - 2.704 |
| R-factor | 0.2238 |
| Rwork | 0.223 |
| R-free | 0.23670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a4v |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.499 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
| High resolution limit [Å] | 2.000 | 5.810 | 2.700 |
| Rmerge | 0.086 | 0.053 | 0.312 |
| Number of reflections | 86090 | ||
| <I/σ(I)> | 14.5 | 25.1 | 3.6 |
| Completeness [%] | 96.8 | 99.8 | 92.2 |
| Redundancy | 3.6 | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG 3350, 0.2M potassium nitrate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
