1CXP
CRYOGENIC CRYSTAL STRUCTURE OF HUMAN MYELOPEROXIDASE ISOFORM C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 85 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-05-13 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 111.030, 63.380, 92.170 |
| Unit cell angles | 90.00, 97.36, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.23900 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.230 |
| 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 | 0.053 | 0.220 |
| Total number of observations | 525526 * | |
| Number of reflections | 128125 | |
| <I/σ(I)> | 12.6 | 5.92 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 4.1 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | POLYETHYLENE GLYCOL 8000, AMMONIUM SULFATE, SODIUM ACETATE, CALCIUM CHLORIDE, pH 5.50, VAPOR DIFFUSION, HANGING DROP |
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)) |
