8D5G
Crystal structure of dihydropteroate synthase (folP-SMZ_B27) from soil uncultured bacterium in complex with 6-hydroxymethyl-7,8-dihydropterin pyrophosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2019-03-29 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 101.540, 101.540, 207.009 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 24.820 - 2.780 |
R-factor | 0.2084 |
Rwork | 0.206 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vis |
RMSD bond length | 0.002 |
RMSD bond angle | 0.493 |
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] | 25.000 | 2.830 |
High resolution limit [Å] | 2.780 | 2.780 |
Rmerge | 0.372 | 1.245 |
Rpim | 0.093 | 0.425 |
Number of reflections | 16612 | 808 |
<I/σ(I)> | 8.1 | 1.46 |
Completeness [%] | 99.9 | 99.1 |
Redundancy | 16.2 | 9.5 |
CC(1/2) | 0.576 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 25% (w/v) PEG 5K MME, 0.2 M ammonium sulfate, 0.1M sodium citrate dehydrate pH5.6, 1.2mM 6-hydroxymethyl-7,8-dihydropterin pyrophosphate |