8D5I
Crystal structure of dihydropteroate synthase H182G mutant (folP-SMZ_B27) from soil uncultured bacterium in complex with pteroic acid and pyrophosphate
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 | PIXEL |
Collection date | 2019-10-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.978 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 87.167, 145.614, 36.801 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.410 - 1.820 |
R-factor | 0.1669 |
Rwork | 0.165 |
R-free | 0.21080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vis |
RMSD bond length | 0.007 |
RMSD bond angle | 0.942 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.136 | 0.867 |
Rpim | 0.075 | 0.583 |
Number of reflections | 42814 | 1703 |
<I/σ(I)> | 16.5 | 1.1 |
Completeness [%] | 98.3 | 79.5 |
Redundancy | 6 | 2.4 |
CC(1/2) | 0.982 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 25% (w/v) PEG 3350, 1% DMSO, 0.1 M Hepes pH 7.5, 5 mM para-aminobenzoic acid, 1.2 mM 6-hydroxymethyl-7,8-dihydropterin pyrophosphate |