4HXE
Pyrococcus horikoshii acylaminoacyl peptidase (uncomplexed)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-06-17 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | H 3 2 |
Unit cell lengths | 183.000, 183.000, 144.630 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.780 - 1.910 |
R-factor | 0.1741 |
Rwork | 0.172 |
R-free | 0.21021 |
Structure solution method | MIRAS |
RMSD bond length | 0.018 |
RMSD bond angle | 1.944 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MLPHARE |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.100 | 2.000 |
High resolution limit [Å] | 1.900 | 2.000 | 1.900 |
Rmerge | 0.158 | 0.605 | 0.686 |
Number of reflections | 69738 | ||
<I/σ(I)> | 12.79 | 3.11 | 1.87 |
Completeness [%] | 95.7 | 95.6 | 74.6 |
Redundancy | 8.32 | 5.3 | 2.84 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 3.0 M 1,6-hexanediol, 0.20 M MgCl2, 0.1 M Tris/HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 3.0 M 1,6-hexanediol, 0.20 M MgCl2, 0.1 M Tris/HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 3.0 M 1,6-hexanediol, 0.20 M MgCl2, 0.1 M Tris/HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 3.0 M 1,6-hexanediol, 0.20 M MgCl2, 0.1 M Tris/HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 3.0 M 1,6-hexanediol, 0.20 M MgCl2, 0.1 M Tris/HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |