4NCP
Crystal Structure of 4-HBT like thioesterase SAV1878 from Staphylococcus aureus subsp. aureus Mu50
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 | 2013-04-13 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.930, 128.500, 83.540 |
| Unit cell angles | 90.00, 102.78, 90.00 |
Refinement procedure
| Resolution | 35.330 - 2.500 |
| R-factor | 0.209 |
| Rwork | 0.207 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vpm |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.474 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.330 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 35295 | |
| Completeness [%] | 99.1 | 99.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 296 | 200mM Sodium Malonate pH5.5, 18% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
