1D7W
CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C COMPLEXED WITH CYANIDE AND BROMIDE AT PH 4.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 84 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-06-21 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 111.338, 63.324, 92.263 |
| Unit cell angles | 90.00, 97.41, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.27000 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.279 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.061 | 0.191 |
| Total number of observations | 343921 * | |
| Number of reflections | 92679 | |
| <I/σ(I)> | 7.89 | 7.89 |
| Completeness [%] | 92.3 | 89.8 |
| Redundancy | 3.71 | 3.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 * | 289 | Davey, C.A., (1996) Biochemistry, 35, 10967. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | MPO | 20 (mg/ml) | |
| 2 | 1 | drop | sodium acetate | 50 (mM) | pH5.0 |
| 3 | 1 | drop | ammonium sulfate | 50 (mM) | |
| 4 | 1 | drop | 10 (mM) | ||
| 5 | 1 | drop | PEG8000 | 8 (%) | |
| 6 | 1 | reservoir | 0.2 (M) |
