2DZA
Crystal Structure of Dihydropteroate Synthase from Thermus thermophilus HB8 in Complex with 4-aminobenzoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 65 |
| Unit cell lengths | 110.598, 110.598, 88.552 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.200 - 1.900 |
| R-factor | 0.215 |
| Rwork | 0.215 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dqw |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.064 | 0.482 |
| Number of reflections | 48415 | |
| <I/σ(I)> | 11.4 | 2.7 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 9.2 | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 5.8 | 295 | PEG 20K, Mes, NaOH, 4-aminobenzoate, pH 5.8, microbatch, temperature 295K |
