5HUJ
Crystal Structure of NadE from Streptococcus pyogenes
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 | 2014-06-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.786, 92.964, 128.355 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.340 - 2.100 |
| R-factor | 0.1589 |
| Rwork | 0.156 |
| R-free | 0.21068 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5huh |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.877 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.109 | 0.772 |
| Number of reflections | 32708 | |
| <I/σ(I)> | 11.9 | 2.3 |
| Completeness [%] | 91.8 | 90.5 |
| Redundancy | 5.6 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 0.1 M Tris, 20% PEG 4000, 0.2 M MgCl2 |
