3V5O
Structural and Mechanistic Studies of Catalysis and Sulfa Drug Resistance in Dihydropteroate Synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-05 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 98.023, 98.023, 264.145 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.190 - 2.500 |
| R-factor | 0.2357 |
| Rwork | 0.234 |
| R-free | 0.27360 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1tws |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.107 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 23961 | |
| <I/σ(I)> | 33.6 | 7.2 |
| Completeness [%] | 88.8 | 49.8 |
| Redundancy | 12.3 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | Bis-Tris propane, Lithium Sulfate, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
