3TYZ
Crystal Structure of the Yersinia pestis Dihydropteroate synthetase with substrate transition state complex.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.179, 50.522, 74.668 |
| Unit cell angles | 90.00, 90.75, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.070 |
| R-factor | 0.1957 |
| Rwork | 0.194 |
| R-free | 0.22920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.144 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.110 |
| High resolution limit [Å] | 2.070 | 5.620 | 2.070 |
| Rmerge | 0.056 | 0.020 | 0.293 |
| Number of reflections | 31898 | ||
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 99.0 | 99 | 92.8 |
| Redundancy | 4.1 | 4 | 3.6 |
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 |
