5VO3
Crystal structure of DapE in complex with the products (succinic acid and diaminopimelic acid)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-02-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 56.648, 135.536, 149.613 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.321 - 1.954 |
R-factor | 0.1634 |
Rwork | 0.162 |
R-free | 0.18460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3isz |
RMSD bond length | 0.008 |
RMSD bond angle | 1.174 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX (dev_1888) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.984 |
High resolution limit [Å] | 1.950 | 1.954 |
Rmerge | 0.073 | |
Number of reflections | 60902 | |
<I/σ(I)> | 16 | |
Completeness [%] | 99.5 | |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.15 M Hepes pH 7.5, 0.06 M Sodium potassium tartrate, 26 % Peg 8000 |