1BMN
HUMAN ALPHA-THROMBIN COMPLEXED WITH [S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXAMIDE (BMS-189090)
Experimental procedure
| Detector technology | AREA DETECTOR |
| Collection date | 1993-09-30 |
| Detector | SIEMENS |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 167.780, 49.040, 43.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.800 |
| R-factor | 0.162 |
| Rwork | 0.162 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.430 * |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | |
| High resolution limit [Å] | 2.800 * |
| Rmerge | 0.052 |
| Total number of observations | 12793 * |
| Number of reflections | 9687 * |
| Completeness [%] | 74.5 * |
| Redundancy | 1.32 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.3 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 1.5-3 (mg/ml) | |
| 2 | 1 | drop | HEPES | 25-37.5 (mM) | |
| 3 | 1 | drop | 15 (mM) | ||
| 4 | 1 | drop | PEG8000 | 9-10 (%(w/v)) | |
| 5 | 1 | drop | sodium acetate | 20 (mM) | |
| 6 | 1 | drop | magnesium chloride | 18-20 (%(w/v)) | or lithium chloride |
| 7 | 1 | reservoir | PEG8000 | 18-20 (%(w/v)) | |
| 8 | 1 | reservoir | sodium acetate | 40 (mM) | |
| 9 | 1 | reservoir | magnesium chloride | 10 (mM) | or lithium chloride |
