5XEY
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 | 2014-12-24 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.195, 65.091, 136.861 |
| Unit cell angles | 90.00, 105.74, 90.00 |
Refinement procedure
| Resolution | 36.402 - 1.820 |
| R-factor | 0.2106 |
| Rwork | 0.208 |
| R-free | 0.25550 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.091 |
| 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 | 1.890 |
| High resolution limit [Å] | 1.820 | 3.920 | 1.820 |
| Rmerge | 0.092 | 0.050 | 0.487 |
| Rmeas | 0.110 | 0.060 | 0.584 |
| Rpim | 0.060 | 0.033 | 0.319 |
| Total number of observations | 350376 | ||
| Number of reflections | 112355 | ||
| <I/σ(I)> | 9 | ||
| Completeness [%] | 98.3 | 99.2 | 96.4 |
| Redundancy | 3.1 | 3.2 | 3.1 |
| CC(1/2) | 0.993 | 0.788 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289 | 0.1M Sodim Citrate pH5.5, 1M LiCl, 6% PEG6000 |
