2VCN
Structure of isoniazid (INH) bound to cytosolic soybean ascorbate peroxidase mutant W41A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-21 |
| Detector | ADSC CCD |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 82.126, 82.126, 75.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.740 - 1.200 |
| R-factor | 0.213 |
| Rwork | 0.212 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oaf |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.289 |
| 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] | 37.580 | 1.260 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.060 | 0.690 |
| Number of reflections | 78730 | |
| <I/σ(I)> | 17.2 | 2.5 |
| Completeness [%] | 97.9 | 96 |
| Redundancy | 9.3 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.3 | pH 8.3 |
