4GKM
Bianthranilate-like analogue bound in the outer 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) | 0.991841 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 111.167, 81.342, 78.468 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.474 - 1.668 |
| R-factor | 0.1984 |
| Rwork | 0.197 |
| R-free | 0.22070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | chain A of PDB ENTRY 3QR9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.211 |
| 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] | 111.440 | 1.760 |
| High resolution limit [Å] | 1.667 | 1.667 |
| Rmerge | 0.073 | 0.440 |
| Number of reflections | 81071 | |
| <I/σ(I)> | 9 | 2.2 |
| Completeness [%] | 97.4 | 88.3 |
| Redundancy | 3.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.2M imidazole.malate, 13% PEG-4000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
