5EQU
Crystal structure of the epimerase SnoN in complex with Fe3+, alpha ketoglutarate and nogalamycin RO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.908, 119.742, 159.447 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.750 - 2.200 |
| R-factor | 0.20122 |
| Rwork | 0.199 |
| R-free | 0.23804 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ep9 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.798 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.000 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.085 | 0.970 |
| Total number of observations | 282204 | |
| Number of reflections | 69960 | |
| <I/σ(I)> | 8.3 | 1.4 |
| Completeness [%] | 99.2 | 97 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | PEG3350, ammonium acetate, BIS-Tris, FeCl3, alpha-ketoglutarate, nogalamycin RO |
