5G17
Bordetella Alcaligenes HDAH (T101A) bound to 9,9,9-trifluoro-8,8- dihydroxy-N-phenylnonanamide.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-21 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 101.270, 101.270, 175.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.680 - 1.510 |
| R-factor | 0.13112 |
| Rwork | 0.130 |
| R-free | 0.15793 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zz0 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.509 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.540 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rmerge | 0.120 | 1.020 |
| Number of reflections | 142442 | |
| <I/σ(I)> | 11.5 | 2.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.9 | 12.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | pH 7.5 |
