1NML
Di-haemic Cytochrome c Peroxidase from Pseudomonas nautica 617, form IN (pH 4.0)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-11-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9330 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 114.457, 114.457, 90.658 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.179 |
| Rwork | 0.179 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eb7 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.450 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 * | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.038 * | 0.292 * |
| Total number of observations | 494949 * | |
| Number of reflections | 35359 * | |
| <I/σ(I)> | 26.5 | 4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * | 277 | Dias, J.M., (2002) Acta Cryst., D58, 697. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | HEPES | 5 (mM) | pH7.5 |
| 3 | 1 | reservoir | sodium citrate | 0.8 (M) | pH4.0 |
