4KT6
High-resolution crystal structure Streptococcus pyogenes beta-NAD+ glycohydrolase in complex with its endogenous inhibitor IFS reveals a water-rich interface
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-03 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0395 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.203, 56.882, 89.980 |
| Unit cell angles | 72.96, 90.01, 82.27 |
Refinement procedure
| Resolution | 20.000 - 1.710 |
| R-factor | 0.19913 |
| Rwork | 0.197 |
| R-free | 0.23519 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.333 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 78603 | |
| Completeness [%] | 94.5 | 95.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 20%(w/v) tacsimate, 20%(w/v) PEG 3350, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
