7KB1
Complex of O-acety-L-homoserine aminocarboxypropyltransferase (MetY) from Thermotoga maritima and a key reaction intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.953729 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.580, 151.340, 91.390 |
| Unit cell angles | 90.00, 112.04, 90.00 |
Refinement procedure
| Resolution | 48.370 - 1.850 |
| R-factor | 0.2285 |
| Rwork | 0.227 |
| R-free | 0.26190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | D_1000251999 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.596 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.370 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmeas | 0.054 | 0.530 |
| Number of reflections | 134424 | 7815 |
| <I/σ(I)> | 11.28 | 1.87 |
| Completeness [%] | 92.8 | 72.7 |
| Redundancy | 2.49 | 2.28 |
| CC(1/2) | 0.999 | 0.781 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.4 | 289 | 0.1 M BIS-Tris, pH 5.4, 0.2 M magnesium chloride, 18% PEG 3350 |
