5HUH
Crystal Structure of NadE from Streptococcus pyogenes
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 | 2014-04-20 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.521, 93.104, 128.569 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.720 - 2.500 |
| R-factor | 0.17449 |
| Rwork | 0.172 |
| R-free | 0.22593 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hmq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.427 |
| 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] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.123 | 0.454 |
| Number of reflections | 19874 | |
| <I/σ(I)> | 12.5 | 2.5 |
| Completeness [%] | 92.6 | 82.9 |
| Redundancy | 6.6 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M Tris, 20% PEG 4000, 0.2 M MgCl2 |
