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 |