5Z75
Artificial L-threonine 3-dehydrogenase designed by ancestral sequence reconstruction.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-10-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.556, 112.694, 92.896 |
Unit cell angles | 90.00, 93.67, 90.00 |
Refinement procedure
Resolution | 92.700 - 2.100 |
R-factor | 0.19491 |
Rwork | 0.193 |
R-free | 0.23513 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wmx |
RMSD bond length | 0.008 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.700 | 2.160 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.087 | 0.428 |
Number of reflections | 73459 | 3652 |
<I/σ(I)> | 32.5 | 5.6 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 20% PEG3350, 0.2M potassium phosphate monobasic |