1TWW
Dihydropteroate Synthetase, With Bound Substrate Analogue PtPP, 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 | 98.239, 98.239, 262.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.500 |
| R-factor | 0.21267 |
| Rwork | 0.211 |
| R-free | 0.25355 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tws |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.119 |
| 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 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 26269 | |
| <I/σ(I)> | 42.7 | 3.7 |
| Completeness [%] | 100.0 | 81.7 |
| Redundancy | 12.9 | 7.7 |
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 |
