5HUP
Crystal Structure of NadC from Streptococcus pyogenes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-25 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97919 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 108.149, 188.816, 222.181 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.420 |
| R-factor | 0.23569 |
| Rwork | 0.233 |
| R-free | 0.29354 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5huo |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.558 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC (5.8.0135) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.460 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.107 | 0.606 |
| Number of reflections | 25907 | |
| <I/σ(I)> | 15.4 | 3.3 |
| Completeness [%] | 81.6 | 95.2 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293 | 0.48 M Ammonium Sulfate, 25% PEG 6000, 0.1 M BIS-TRIS |
