9CP7
Crystal structure of DHPS-3-dehydrogenase, HpsN from Cupriavidus pinatubonensis in complex with product analogue (L-cysteate) and NADH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-06-15 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95372 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.931, 76.339, 85.076 |
Unit cell angles | 90.00, 117.04, 90.00 |
Refinement procedure
Resolution | 43.898 - 1.751 |
Rwork | 0.148 |
R-free | 0.17740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.534 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.898 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 94390 | 4448 |
<I/σ(I)> | 10.6 | 1.7 |
Completeness [%] | 99.2 | |
Redundancy | 2.9 | |
CC(1/2) | 1.000 | 0.740 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, BIS-TRIS, lithium sulfate |