9CEN
Structure of the thiocysteine lyase (SH) domain from guangnanmycin A biosynthetic pathway
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 | PIXEL |
| Collection date | 2021-09-27 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.963, 89.555, 70.012 |
| Unit cell angles | 90.00, 108.15, 90.00 |
Refinement procedure
| Resolution | 40.770 - 1.800 |
| R-factor | 0.148 |
| Rwork | 0.147 |
| R-free | 0.18100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ycn |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.770 | 1.864 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.044 | 0.231 |
| Rmeas | 0.058 | 0.282 |
| Rpim | 0.031 | 0.158 |
| Number of reflections | 73808 | 7229 |
| <I/σ(I)> | 13.73 | |
| Completeness [%] | 98.5 | 96.59 |
| Redundancy | 3.26 | |
| CC(1/2) | 0.998 | 0.915 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 294 | 0.2 M Sodium Acetate, 0.1 M Tris:HCl, pH 8.5, 30% (w/v) PEG 4000 |
