1HB0
Snapshots of serine protease catalysis: (D) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 jumped to pH 10 for 2 minutes
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 | 1997-01-15 |
| Detector | PRINCETON |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.630, 57.600, 73.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.000 - 2.050 |
| R-factor | 0.199 |
| Rwork | 0.199 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qix |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.250 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.800 | 2.100 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.105 | 0.254 |
| Total number of observations | 130629 * | |
| Number of reflections | 12678 | |
| <I/σ(I)> | 9.6 | 6.8 |
| Completeness [%] | 93.3 | 85.9 |
| Redundancy | 2.7 | 2.4 |
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) |
