4CE0
Crystal Structure of SAH-bound Spinosyn Rhamnosyl 4'-O- Methyltransferase SpnH from Saccharopolyspora spinosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-12 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 52.210, 72.798, 61.793 |
| Unit cell angles | 90.00, 106.05, 90.00 |
Refinement procedure
| Resolution | 23.008 - 2.001 |
| R-factor | 0.1757 |
| Rwork | 0.170 |
| R-free | 0.22710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cdz |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.689 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.080 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.070 | 0.250 |
| Number of reflections | 13270 | |
| <I/σ(I)> | 22.54 | 6.08 |
| Completeness [%] | 88.1 | 63 |
| Redundancy | 6.9 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 22% (W/V) POLYETHYLENE GLYCOL 3350, 100MM TRIS, PH 8, 200MM MAGNESIUM CHLORIDE, 2.3MM SPINOSYN RHAMNOSYL PSEUDOAGLYCONE |
