4GIU
Bianthranilate-like analogue bound in inner site of anthranilate phosphoribosyltransferase (AnPRT; trpD).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.991838 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 111.442, 80.752, 78.723 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.369 - 1.667 |
R-factor | 0.2003 |
Rwork | 0.199 |
R-free | 0.22310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | chain A of PDB ENTRY 3QR9 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.144 |
Data reduction software | XDS ((Kabsch) |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 111.442 | 1.760 |
High resolution limit [Å] | 1.667 | 1.667 |
Rmerge | 0.100 | 1.083 |
Number of reflections | 83400 | |
<I/σ(I)> | 15.5 | 2 |
Completeness [%] | 99.9 | 99.1 |
Redundancy | 12.3 | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.2M imidazole-malate, 11% PEG4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |