4A9X
Pseudomonas fluorescens PhoX in complex with the substrate analogue AppCp
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-11-11 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.400, 78.900, 111.630 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.800 - 1.790 |
R-factor | 0.2451 |
Rwork | 0.243 |
R-free | 0.28660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a9v |
RMSD bond length | 0.010 |
RMSD bond angle | 1.110 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.430 | 1.840 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.150 | 0.610 |
Number of reflections | 53322 | |
<I/σ(I)> | 6.8 | 2.9 |
Completeness [%] | 90.1 | 99.9 |
Redundancy | 6.3 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.9 | 19% PEG 6000, 0.1 M TRIS PH 7.9, 0.2 M LICL, 300 UM CACL2, 1.5 MM APPCP |