3NWU
Substrate induced remodeling of the active site regulates HtrA1 activity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.08090 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 153.671, 153.671, 89.835 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.900 - 3.200 |
| R-factor | 0.174 |
| Rwork | 0.172 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.529 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.900 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.099 | 0.469 |
| Number of reflections | 17660 | |
| <I/σ(I)> | 15.2 | 2.9 |
| Completeness [%] | 97.1 | 97.8 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 292 | 2.0M Ammonium sulfate, 0.1M Sodium acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
