4PB4
D-threo-3-hydroxyaspartate dehydratase H351A mutant complexed with 2-amino maleic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-16 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 157.748, 157.748, 158.024 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.210 - 1.800 |
R-factor | 0.16497 |
Rwork | 0.164 |
R-free | 0.18316 |
RMSD bond length | 0.025 |
RMSD bond angle | 2.216 |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.094 | 0.672 |
Number of reflections | 91233 | |
<I/σ(I)> | 29.1 | 5.42 |
Completeness [%] | 99.6 | 99.1 |
Redundancy | 14.9 | 15 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG3350, Tris-HCl. MgCl2 |