1TX2
Dihydropteroate Synthetase, With Bound Inhibitor MANIC, From Bacillus anthracis
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 | 2004-02-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 98.387, 98.387, 263.235 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 81.700 - 1.830 |
| R-factor | 0.18382 |
| Rwork | 0.182 |
| R-free | 0.20878 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tws |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.788 |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.700 | 1.880 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Number of reflections | 63046 | |
| <I/σ(I)> | 23.6 | 3.9 |
| Completeness [%] | 100.0 | 68.9 |
| Redundancy | 11.1 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | lithium sulfate, tris, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
