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 |