2NQX
Crystal Structure of bovine lactoperoxidase with iodide ions at 2.9A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 290 |
Detector technology | IMAGE PLATE |
Collection date | 2006-09-25 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.530, 80.549, 78.031 |
Unit cell angles | 90.00, 103.74, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.950 |
R-factor | 0.198 |
Rwork | 0.196 |
R-free | 0.23630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ips |
RMSD bond length | 0.008 |
RMSD bond angle | 1.212 |
Data reduction software | AUTOMAR |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Number of reflections | 13026 | |
<I/σ(I)> | 6.5 | 2.1 |
Completeness [%] | 98.6 | 97.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |