2CIG
Dihydrofolate reductase from Mycobacterium tuberculosis inhibited by the acyclic 4R isomer of INH-NADP a derivative of the prodrug isoniazid.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200B |
| Temperature [K] | 194 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-07-07 |
| Detector | MSC R-AXIS IV |
| Spacegroup name | P 41 |
| Unit cell lengths | 60.670, 60.670, 59.147 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.630 - 1.900 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1df7 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.999 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.050 | 0.260 |
| Number of reflections | 84102 | |
| <I/σ(I)> | 20.7 | 4.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.9 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 1.6 M AMMONIUM SULFATE, 100 MM SODIUM ACETATE, PH 4.6, 10 % GLYCEROL |
