5DM5
Crystal structure of the hexameric thioesterase y2039 from Yersinia pestis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 65 |
| Unit cell lengths | 77.870, 77.870, 285.260 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.878 - 2.700 |
| R-factor | 0.2299 |
| Rwork | 0.227 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yli |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.675 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10pre_2104: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.878 | 2.830 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.145 | 0.638 |
| Number of reflections | 25310 | |
| <I/σ(I)> | 5 | 1.6 |
| Completeness [%] | 94.7 | 96.6 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | 800 mM potassium sodium tartrate tetrahydrate, 120 mM HEPES |
