3NZI
Substrate induced remodeling of the active site regulates HtrA1 activity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2008-09-21 |
| Detector | PSI PILATUS 6M |
| Spacegroup name | H 3 |
| Unit cell lengths | 105.965, 105.965, 118.336 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.750 |
| R-factor | 0.20238 |
| Rwork | 0.200 |
| R-free | 0.24884 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lcy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.265 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.072 | 0.463 |
| Number of reflections | 12884 | |
| <I/σ(I)> | 11.3 | 2.8 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 4.8 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 292 | 1.0M LiSO4, 0.1M Sodium citrate, 0.5M (NH4)2SO4, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
