8IDU
Crystal structure of substrate bound-form dehydroquinate dehydratase from Corynebacterium glutamicum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-05-27 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 150.641, 165.275, 106.531 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.920 - 2.000 |
R-factor | 0.14336 |
Rwork | 0.142 |
R-free | 0.16920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.701 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (v5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
Rmerge | 0.130 | 0.085 | 0.324 |
Number of reflections | 83591 | 8581 | 8386 |
<I/σ(I)> | 10.3 | ||
Completeness [%] | 98.5 | 98.8 | 97.2 |
Redundancy | 4.7 | 4.8 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293.15 | Lithium sulfate, Ammonium sulfate, Sodium citrate |