1B0F
CRYSTAL STRUCTURE OF HUMAN NEUTROPHIL ELASTASE WITH MDL 101, 146
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 287 |
| Detector technology | AREA DETECTOR |
| Collection date | 1993-10-19 |
| Detector | SIEMENS |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 75.800, 75.800, 108.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 3.000 |
| R-factor | 0.16 |
| Rwork | 0.160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hne |
| RMSD bond length | 0.012 |
| RMSD bond angle | 26.400 * |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.099 * | |
| Total number of observations | 48509 * | |
| Number of reflections | 6729 | |
| Completeness [%] | 99.1 | 95.9 |
| Redundancy | 7.2 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 3.8 * | 4 * | pH 5.00 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 25 (mg/ml) | |
| 2 | 1 | drop | MDL 103542 | 2 (mM) | |
| 3 | 1 | drop | DMF | 4 (%(v/v)) | |
| 4 | 1 | reservoir | ammonium phosphate | 3.0 (M) | pH3.8 |
| 5 | 1 | reservoir | Tris | 1.0 (M) | pH8.0 |
