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 |