7KG5
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56W mutant with pyruvate bound in the active 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 | 2017-10-28 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 85.130, 231.250, 202.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.298 - 1.950 |
R-factor | 0.1757 |
Rwork | 0.174 |
R-free | 0.20960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ly8 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.851 |
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] | 46.298 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.840 | |
Number of reflections | 142098 | 14097 |
<I/σ(I)> | 10.71 | |
Completeness [%] | 98.1 | 98.1 |
Redundancy | 15 | |
CC(1/2) | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.3 | 288.15 | 0.2 M Magnesium acetate, 14 % PEG8000 (pH 7.3) |