5VIS
1.73 Angstrom Resolution Crystal Structure of Dihydropteroate Synthase (folP-SMZ_B27) from Soil Uncultured Bacterium.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-02-16 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 101.822, 101.822, 206.137 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.990 - 1.730 |
R-factor | 0.1583 |
Rwork | 0.157 |
R-free | 0.19091 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aj2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.471 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.760 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.072 | 0.752 |
Rpim | 0.031 | 0.325 |
Number of reflections | 66663 | 3260 |
<I/σ(I)> | 20.7 | 2.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6 | 5.9 |
CC(1/2) | 0.737 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | Protein: 30.0 mg/ml, 0.25M Sodium chloride, 0.25M Potassium chloride, 0.01M HEPES (pH 7.5); Screen: 0.2M Potassium citrate, 0.1M MES (pH 6.5), 20% (w/v) PEG 3350; Cryo: 5% (v/v) PEG 200, paratone. |