5XE5
Discovery and structural analysis of a phloretin hydrolase from the opportunistic pathogen Mycobacterium abscessus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-06 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97852 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.185, 63.118, 74.916 |
Unit cell angles | 90.00, 103.33, 90.00 |
Refinement procedure
Resolution | 36.786 - 2.170 |
R-factor | 0.2037 |
Rwork | 0.201 |
R-free | 0.24900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hwp |
RMSD bond length | 0.008 |
RMSD bond angle | 1.138 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.210 |
High resolution limit [Å] | 2.170 | 5.890 | 2.170 |
Rmerge | 0.086 | 0.048 | 0.351 |
Number of reflections | 34081 | ||
<I/σ(I)> | 6.1 | ||
Completeness [%] | 97.7 | 99.2 | 83.1 |
Redundancy | 3.3 | 3.3 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 289 | 0.1 M Na-cacodylate pH 5.0, 1 M LiCl, 6.8% PEG6000 |