4IJ1
Bianthranilate-like analogue bound to anthranilate phosphoribosyltransferase (AnPRT; trpD) in absence of substrates.
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 | 2012-04-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.8983 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.799, 78.050, 101.973 |
| Unit cell angles | 90.00, 111.00, 90.00 |
Refinement procedure
| Resolution | 47.601 - 1.790 |
| R-factor | 0.2032 |
| Rwork | 0.201 |
| R-free | 0.24360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3QR9 CHAIN A |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.126 |
| 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 | Inner shell | Outer shell | |
| Low resolution limit [Å] | 95.201 | 95.200 | 1.690 |
| High resolution limit [Å] | 1.594 | 4.780 | 1.594 |
| Rmerge | 0.145 | 0.040 | 3.348 |
| Number of reflections | 65430 | ||
| <I/σ(I)> | 6.71 | 28.6 | 0.31 |
| Completeness [%] | 99.7 | 90.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.2M imidazole.malate, 15% PEG4000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
