4FOG
Crystal Structure of Mtb ThyA in Complex with 5-Fluoro-dUMP and 5-methyltetrahydrofolic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2009-09-12 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 184.328, 82.317, 125.980 |
Unit cell angles | 90.00, 132.30, 90.00 |
Refinement procedure
Resolution | 42.940 - 2.400 |
R-factor | 0.214 |
Rwork | 0.211 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qj7 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.148 |
Data reduction software | d*TREK (9.7 W8RSSI) |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.650 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.097 | 0.446 |
Number of reflections | 53664 | |
<I/σ(I)> | 8.9 | 2.9 |
Completeness [%] | 98.0 | 96.7 |
Redundancy | 5.16 | 5.16 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.4 | 298 | 2M ammonium sulfate, 0.1M imidazole pH 6.4, 5mM spermine, VAPOR DIFFUSION, HANGING DROP, temperature 298K |