8ING
Structure of the ternary complex of lactoperoxidase with substrate nitric oxide (NO) and product nitrite ion (NO2) at 1.98 A resolution
Replaces: 7WCSReplaces: 4LJJExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 81 |
Detector technology | CCD |
Collection date | 2013-04-23 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.052, 80.342, 76.121 |
Unit cell angles | 90.00, 102.82, 90.00 |
Refinement procedure
Resolution | 35.329 - 1.980 |
Rwork | 0.183 |
R-free | 0.23350 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.681 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.329 | 2.010 |
High resolution limit [Å] | 1.980 | 1.980 |
Number of reflections | 43516 | 2188 |
<I/σ(I)> | 32.4 | |
Completeness [%] | 99.0 | |
Redundancy | 4.3 | |
CC(1/2) | 0.960 | 0.920 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Sodium nitrate, PEG |