6QKY
Tryptophan synthase subunit alpha from Streptococcus pneumoniae with 3D domain swap in the core of TIM barrel
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 | 2014-11-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 104.810, 138.620, 107.250 |
| Unit cell angles | 90.00, 117.21, 90.00 |
Refinement procedure
| Resolution | 48.990 - 2.540 |
| R-factor | 0.19353 |
| Rwork | 0.193 |
| R-free | 0.23435 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.194 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.990 | 2.680 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 0.056 | 0.968 |
| Number of reflections | 171460 | 24979 |
| <I/σ(I)> | 9.53 | 1.26 |
| Completeness [%] | 97.1 | 98.4 |
| Redundancy | 1.93 | 1.95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277.15 | 0.17 M Na acetate, 0.085 M Tris/HCl, pH 8.5, 25% PEG 4K, 15% glycerol |
