4M0R
Trianthranilate-like analogue bound to 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 | 2012-04-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.484, 91.760, 119.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.079 - 1.960 |
| R-factor | 0.1958 |
| Rwork | 0.194 |
| R-free | 0.23080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CHAIN A OF PDB ENTRY 3QR9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.090 |
| 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] | 91.760 | 2.070 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.105 | 0.879 |
| Number of reflections | 63134 | |
| <I/σ(I)> | 10.2 | 2 |
| Completeness [%] | 99.3 | 99.7 |
| Redundancy | 4.8 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.2M imidazole.malate, 11% PEG-4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
