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) |