1TWZ
Dihydropteroate Synthetase, With Bound Substrate Analogue PtP, 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 | 2004-04-13 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 97.362, 97.362, 262.865 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.750 |
| R-factor | 0.22871 |
| Rwork | 0.226 |
| R-free | 0.27848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tws |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.732 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Number of reflections | 19781 | |
| <I/σ(I)> | 57.3 | 7.5 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 11.5 | 12 |
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 219K |
