1HAY
Snapshots of serine protease catalysis: (B) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 10 seconds
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-06-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.740, 57.870, 73.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.000 - 1.700 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qix |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.290 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.700 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.060 | 0.275 |
| Total number of observations | 264210 * | |
| Number of reflections | 23364 | |
| <I/σ(I)> | 20.9 | 3.7 |
| Completeness [%] | 97.7 | 91 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5 * | 17 * | Wilmouth, R.C., (1997) Nat.Struct.Biol., 4, 456. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium acetate | 0.04 (mM) | |
| 2 | 1 | drop | PPE | 50 (mg/ml) | |
| 3 | 1 | drop | BCM7 | 50 (mg/ml) | |
| 4 | 1 | reservoir | ammonium sulfate | 50 (mM) |
