1D2V
CRYSTAL STRUCTURE OF BROMIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 86 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-06-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 111.155, 63.488, 92.476 |
| Unit cell angles | 90.00, 97.36, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.750 |
| R-factor | 0.239 * |
| Rwork | 0.243 |
| R-free | 0.29400 * |
| RMSD bond length | 0.014 |
| RMSD bond angle | 22.960 * |
| 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 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.060 | 0.194 |
| Total number of observations | 340410 * | |
| Number of reflections | 117117 | |
| <I/σ(I)> | 14.8 | 6.23 |
| Completeness [%] | 92.0 | 83.6 |
| Redundancy | 2.906 | 2.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289 | polyethylene glycol 8000, ammonium sulfate, sodium acetate, calcium acetate, sodium bromide, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
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) | |
| 3 | 1 | drop | ammonium sulfate | 50 (mM) | |
| 4 | 1 | drop | 2 (mM) | ||
| 5 | 1 | drop | PEG8000 | 6 (%(w/v)) | |
| 6 | 1 | reservoir | PEG8000 | 22-25 (%(w/v)) |
