2VCS
Structure of isoniazid (INH) bound to cytosolic soybean ascorbate peroxidase mutant H42A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-08-12 |
| Detector | RIGAKU IMAGE PLATE |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 81.735, 81.735, 74.937 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.620 - 1.680 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oaf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.179 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.620 | 1.770 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.030 | 0.210 |
| Number of reflections | 24816 | |
| <I/σ(I)> | 31.2 | 2.5 |
| Completeness [%] | 84.0 | 26.8 |
| Redundancy | 4.18 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.3 | 2.5M LISO4, PH 8.3 |
