6MFB
Crystal structure of 3-hydroxykynurenine transaminase from Aedes aegypti
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-13 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 1.45861 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.706, 115.729, 172.163 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.850 - 2.500 |
| R-factor | 0.1902 |
| Rwork | 0.187 |
| R-free | 0.26060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ch1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.413 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.850 | 47.850 | 2.570 |
| High resolution limit [Å] | 2.500 | 10.900 | 2.500 |
| Rmerge | 0.086 | 0.027 | 0.798 |
| Rmeas | 0.094 | 0.029 | 0.866 |
| Rpim | 0.037 | 0.012 | 0.333 |
| Total number of observations | 388427 | ||
| Number of reflections | 59594 | 818 | 4580 |
| <I/σ(I)> | 16.2 | ||
| Completeness [%] | 99.9 | 98.5 | 100 |
| Redundancy | 6.5 | 5.9 | 6.7 |
| CC(1/2) | 0.998 | 0.999 | 0.896 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 278 | HEPES pH 7.5, Ethylene glycol, Polyethylene glycol |
