2VCF
Structure of isoniazid (INH) bound to cytosolic soybean ascorbate peroxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-25 |
| Detector | ADSC CCD |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 82.243, 82.243, 74.965 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.010 - 1.800 |
| R-factor | 0.156 |
| Rwork | 0.154 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oaf |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.234 |
| 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] | 27.110 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.090 | 0.380 |
| Number of reflections | 24461 | |
| <I/σ(I)> | 17.4 | 4.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.9 | 7.09 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.3 | 2.5M LISO4 PH 8.3 |
