4AMF
Pseudomonas fluorescens PhoX in complex with the substrate analogue AppCp
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2012-02-18 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.490, 70.380, 227.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.250 - 1.520 |
R-factor | 0.1561 |
Rwork | 0.155 |
R-free | 0.18310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a9x |
RMSD bond length | 0.010 |
RMSD bond angle | 1.110 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (BUSTER 2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.380 | 1.560 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.080 | 0.680 |
Number of reflections | 166380 | |
<I/σ(I)> | 7.9 | 3.2 |
Completeness [%] | 99.0 | 98.9 |
Redundancy | 3.5 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 19% PEG 6000, 0.1 M TRIS PH 7.9, 0.2 M LICL, 300 UM CACL2, SOAKED IN APPCP 1MM |