4DPQ
The structure of dihydrodipicolinate synthase 2 from Arabidopsis thaliana in complex with (S)-lysine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2011-10-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95369 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 95.480, 95.480, 174.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.640 - 2.202 |
R-factor | 0.1413 |
Rwork | 0.139 |
R-free | 0.17660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.943 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.641 | 36.641 | 2.260 |
High resolution limit [Å] | 2.202 | 9.850 | 2.202 |
Rmerge | 0.039 | 0.638 | |
Rmeas | 0.042 | 0.692 | |
Rpim | 0.016 | 0.264 | |
Total number of observations | 3207 | 20943 | |
Number of reflections | 41684 | ||
<I/σ(I)> | 13.3 | 26.9 | 4.1 |
Completeness [%] | 99.9 | 97.9 | 99.4 |
Redundancy | 7.1 | 5.7 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 2.4M sodium malonate, 0.02%(w/v) sodium azide, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |