5XYQ
Structure of 6-aminohexanoate-oligomer hydrolase from Arthrobacter sp. KI72., D122K mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-10-20 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.1000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 70.660, 144.783, 128.194 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.850 - 1.100 |
R-factor | 0.12344 |
Rwork | 0.122 |
R-free | 0.14270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xyg |
RMSD bond length | 0.012 |
RMSD bond angle | 1.438 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.120 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.079 | 0.720 |
Number of reflections | 264009 | |
<I/σ(I)> | 21.2 | 2.12 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 6.2 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.2-2.2 M ammonium sulphate, 0.2 M NaCl, 0.1 M HEPES buffer pH 7.5-8.5 |