7DIB
Crystal structure of D-threonine aldolase from Filomicrobium marinum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-09-17 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 70.965, 178.051, 65.458 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.300 - 2.200 |
R-factor | 0.2134 |
Rwork | 0.211 |
R-free | 0.25430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4v15 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.567 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.082 | 0.398 |
Number of reflections | 41469 | 1981 |
<I/σ(I)> | 19.3 | 3.3 |
Completeness [%] | 96.1 | |
Redundancy | 4 | |
CC(1/2) | 0.982 | 0.585 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | PEG 400, Sodium acetate tribasic, Cadmium chloride hydrate |