3N8F
Crystal structure of the complex of goat lactoperoxidase with thiocyanate at 3.2 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 278 |
Detector technology | IMAGE PLATE |
Collection date | 2006-09-18 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 58.522, 72.537, 83.983 |
Unit cell angles | 85.30, 84.06, 75.68 |
Refinement procedure
Resolution | 24.980 - 3.250 |
R-factor | 0.20954 |
Rwork | 0.205 |
R-free | 0.24827 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ojv |
RMSD bond length | 0.008 |
RMSD bond angle | 1.246 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 3.310 |
High resolution limit [Å] | 3.250 | 3.250 |
Number of reflections | 20901 | |
<I/σ(I)> | 3.8 | 1.9 |
Completeness [%] | 95.2 | 95.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 280 | 0.2M Ammonium nitrate 20%w/v PEG 3350, PH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 280K |