3ZWU
Pseudomonas fluorescens PhoX in complex with vanadate, a transition state analogue
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 120 |
| Collection date | 2010-02-22 |
| Detector | ADSC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.790, 71.470, 227.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.420 - 1.390 |
| R-factor | 0.1586 |
| Rwork | 0.158 |
| R-free | 0.17130 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHELXD |
| Refinement software | BUSTER (2.11.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.420 | 1.430 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmerge | 0.060 | 0.640 |
| Number of reflections | 223863 | |
| <I/σ(I)> | 14.4 | 1.7 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 5.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.1 M TRIS HCL PH 8.0, 0.2 M LICL, 20% W/V PEG 6000, 100 UM NA3 VO4. |
