3TZN
Crystal Structure of the Yersinia pestis Dihydropteroate synthase.
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 | 2009-12-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.429, 49.936, 75.512 |
| Unit cell angles | 90.00, 90.24, 90.00 |
Refinement procedure
| Resolution | 41.652 - 2.083 |
| R-factor | 0.2103 |
| Rwork | 0.208 |
| R-free | 0.25040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.672 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
| High resolution limit [Å] | 2.080 | 5.640 | 2.080 |
| Rmerge | 0.098 | 0.063 | 0.217 |
| Number of reflections | 27369 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 85.2 | 84.8 | 73.2 |
| Redundancy | 3.5 | 4.8 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 20,000, MES(pH6.5), pH 6-7, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
