6XN6
ScoE with the CABA substrate bound and His299 and Arg157 flipped out
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 62.090, 62.090, 167.154 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.840 - 1.700 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dch |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.806 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.841 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 36859 | |
| <I/σ(I)> | 15.9 | |
| Completeness [%] | 99.9 | |
| Redundancy | 12.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 297 | 205 mM sodium acetate, 100 mM Tris pH 8.5, 24% (w/v) PEG 4000 |
