7KH4
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56W mutant with pyruvate bound in the active site and R,R-bislysine bound at the allosteric site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-10-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 84.410, 225.290, 199.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.896 - 1.750 |
R-factor | 0.158 |
Rwork | 0.157 |
R-free | 0.18520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ly8 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.125 |
Data reduction software | HKL-3000 |
Data scaling software | XSCALE |
Phasing software | AMPLE |
Refinement software | PHENIX (dev_2398) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.896 | 1.813 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.604 | |
Number of reflections | 190178 | 18744 |
<I/σ(I)> | 12.84 | |
Completeness [%] | 99.9 | 99.41 |
Redundancy | 15 | |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 288.15 | 0.2 M Magnesium acetate, 14 % PEG8000 (pH 7.3), 120 mMR, R-BisLysine |