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 |