3PYZ
Crystal structure of bifunctional folylpolyglutamate synthase/dihydrofolate synthase complexed with AMPPNP and Mn ion from Yersinia pestis c092
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.627, 77.713, 122.292 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.100 |
| R-factor | 0.17899 |
| Rwork | 0.176 |
| R-free | 0.22805 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n2a |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.744 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.067 | 0.687 |
| Number of reflections | 33985 | |
| <I/σ(I)> | 21 | 2 |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 4.8 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 273 | 2.8 Sodium acetate trihydrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 273K |
