4FDN
Mycobacterium tuberculosis DprE1 in complex with CT325 - hexagonal crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-09 |
Detector | RIGAKU SATURN 944 |
Spacegroup name | P 64 |
Unit cell lengths | 127.700, 127.700, 64.400 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.750 - 2.400 |
R-factor | 0.184 |
Rwork | 0.182 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | DPRE1 - MONOCLINIC CRYSTAL FORM |
RMSD bond length | 0.008 |
RMSD bond angle | 1.158 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.360 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.093 | 0.565 |
Number of reflections | 23678 | |
<I/σ(I)> | 20.8 | 3.3 |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 10.6 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | 288 | 0.1 M sodium cacodylate 44% ethylene glycol, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 288K |