3TYU
Crystal Structure of Dihydropteroate synthetase with Product1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.750, 50.536, 74.495 |
| Unit cell angles | 90.00, 90.72, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.213 |
| Rwork | 0.210 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tzn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.391 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.760 |
| High resolution limit [Å] | 2.700 | 6.800 | 2.700 |
| Rmerge | 0.086 | 0.037 | 0.407 |
| Number of reflections | 13474 | ||
| <I/σ(I)> | 11 | ||
| Completeness [%] | 91.9 | 99.6 | 58.4 |
| Redundancy | 6.2 | 6.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 291 | PEG 20,000, MES(pH6.5), VAPOR DIFFUSION, SITTING DROP, temperature 291K |
