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 |