3KQZ
Structure of a protease 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95659 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 171.698, 173.728, 220.278 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.080 - 2.390 |
R-factor | 0.17924 |
Rwork | 0.176 |
R-free | 0.24187 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kqx |
RMSD bond length | 0.017 |
RMSD bond angle | 1.714 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 77.690 |
High resolution limit [Å] | 2.390 |
Rmerge | 0.367 |
Total number of observations | 3662103 |
Number of reflections | 256048 |
<I/σ(I)> | 5.8 |
Completeness [%] | 100.0 |
Redundancy | 14.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 40% PEG 400, 0.1M Tris pH 8.5, 0.2M LiSO4, 1mM TCEP, 1mM ZnCl2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |