3NUM
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 | H 3 |
| Unit cell lengths | 109.476, 109.476, 113.956 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.320 - 2.750 |
| R-factor | 0.24446 |
| Rwork | 0.242 |
| R-free | 0.28747 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lcy |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.477 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.395 | 0.395 |
| Number of reflections | 12716 | |
| <I/σ(I)> | 20.6 | 1.6 |
| Completeness [%] | 95.7 | 85.5 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 292 | 1.0M LiSO4, 0.1M sodium citrate pH5.6, 0.5M (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
