5XZD
Structure of acryloyl-CoA hydratase AcuH from Roseovarius nubinhibens ISM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9791 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 127.810, 119.453, 120.276 |
Unit cell angles | 90.00, 102.77, 90.00 |
Refinement procedure
Resolution | 48.381 - 1.900 |
R-factor | 0.1741 |
Rwork | 0.173 |
R-free | 0.19850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h81 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.772 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.968 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.078 | |
Number of reflections | 137287 | 13424 |
<I/σ(I)> | 41.37 | |
Completeness [%] | 99.3 | 97.97 |
Redundancy | 3.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M sodium acetate (pH 5.2), 15% (v/v) 2-methyl-1,3-propanediol and 2.2% (w/v) PEG 4000 |