5C7S
PRPP complexed with two Mn2+ in the active site of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2015-05-15 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 94.178, 78.481, 100.446 |
Unit cell angles | 90.00, 109.90, 90.00 |
Refinement procedure
Resolution | 24.556 - 2.100 |
R-factor | 0.2047 |
Rwork | 0.202 |
R-free | 0.25390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3QR9 chain A |
RMSD bond length | 0.003 |
RMSD bond angle | 0.712 |
Data reduction software | XDS |
Data scaling software | XDS (November 3, 2014) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.062 | 0.291 |
Number of reflections | 38040 | |
<I/σ(I)> | 13.1 | 3.6 |
Completeness [%] | 94.6 | 100 |
Redundancy | 2.8 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.2 M imidazole-malate, 9% PEG4000 |