4MSF
Crystal structure of the complex of goat lactoperoxidase with 3-hydroxymethyl phenol at 1.98 Angstrom 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 | 2013-04-21 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.766, 80.356, 75.760 |
| Unit cell angles | 90.00, 102.71, 90.00 |
Refinement procedure
| Resolution | 54.390 - 1.980 |
| R-factor | 0.19402 |
| Rwork | 0.192 |
| R-free | 0.23754 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gc1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.770 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.360 | 2.050 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Number of reflections | 41862 | |
| <I/σ(I)> | 3.5 | 3.5 |
| Completeness [%] | 95.8 | 98.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | Sodium nitrate, PEG, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
