5ERL
Crystal structure of the epimerase SnoN in complex with Ni2+, succinate and nogalamycin RO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.324, 117.784, 160.964 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.800 - 2.850 |
| R-factor | 0.20145 |
| Rwork | 0.200 |
| R-free | 0.22417 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ep9 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.958 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.800 | 3.000 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.091 | 0.824 |
| Total number of observations | 144964 | |
| Number of reflections | 32465 | |
| <I/σ(I)> | 13.5 | 1.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | PEG3350, Bis-Tris, MgCl2, NiCl2, sodium succinate, nogalamycin RO |
