3R55
Crystal structure of the complex of goat lactoperoxidase with Pyrazinamide at 2.1 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2010-10-21 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.991, 79.620, 77.520 |
Unit cell angles | 90.00, 102.24, 90.00 |
Refinement procedure
Resolution | 26.400 - 2.100 |
R-factor | 0.222 |
Rwork | 0.219 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2r5l |
RMSD bond length | 0.006 |
RMSD bond angle | 1.097 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.400 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 35172 | |
<I/σ(I)> | 37 | 2.6 |
Completeness [%] | 99.2 | 99 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.8 | 298 | Sodium nitrate, PEG, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |