6HXP
Structure of citryl-CoA lyase from Hydrogenobacter thermophilus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-25 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 1.00003 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 130.596, 130.596, 83.947 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.940 - 1.450 |
R-factor | 0.146 |
Rwork | 0.145 |
R-free | 0.16200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | ACL holoenzyme structure from C. limicola |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.000 | 1.540 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmeas | 0.059 | 2.020 |
Number of reflections | 63972 | 19899 |
<I/σ(I)> | 16.29 | 0.88 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 6.7 | 6 |
CC(1/2) | 1.000 | 0.470 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 45% MPD 0.1 M HEPES pH 7.5 200 mM NH4 acetate Protein sample buffer 20 mM HEPES, 150 mM NaCl, pH 7.4 supplemented with 10 mM CoASH |