5C1R
Stereoisomer of PRPP bound in the active site of Mycobacterium tuberculosis anthranilate phosphoribosyl (AnPRT; trpD)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-15 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.301, 78.490, 100.485 |
| Unit cell angles | 90.00, 110.41, 90.00 |
Refinement procedure
| Resolution | 47.088 - 1.802 |
| R-factor | 0.1742 |
| Rwork | 0.172 |
| R-free | 0.20780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3QR9 chain A |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.159 |
| Data reduction software | XDS (November 3, 2014) |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.069 | 0.404 |
| Number of reflections | 61658 | |
| <I/σ(I)> | 19.2 | 2.3 |
| Completeness [%] | 97.2 | 65.1 |
| Redundancy | 7 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.2 M imidazole-malate, 15 % PEG-4000 |
