1AQ7
TRYPSIN WITH INHIBITOR AERUGINOSIN 98-B
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 1996-05 |
| Detector | PRINCETON 2K |
| Spacegroup name | P 61 |
| Unit cell lengths | 48.300, 48.300, 145.200 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.200 |
| R-factor | 0.164 |
| Rwork | 0.164 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tps |
| RMSD bond length | 0.011 |
| RMSD bond angle | 25.660 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.063 * | |
| Number of reflections | 8944 | |
| <I/σ(I)> | 17.7 | 12.1 |
| Completeness [%] | 92.0 | 85.5 |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.1 * | PROTEIN WAS CRYSTALLIZED FROM 10MG/ML TRYPSIN-LIGAND AGAINST 20% PEG-4000 AND 10% ISOPROPANOL IN 100MM PH 8.5 HEPES |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | trypsin | 10 (mg/ml) | |
| 2 | 1 | drop | phosphate | 100 (mM) | |
| 3 | 1 | reservoir | PEG4000 | 20 (%) | |
| 4 | 1 | reservoir | 2-propanol | 10 (%) | |
| 5 | 1 | reservoir | HEPES | 100 (mM) |
