7C3T
Crystal structure of NE0047 (N66Q) mutant in complex with 8-azaguanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.168, 73.827, 110.263 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.300 - 2.070 |
R-factor | 0.18176 |
Rwork | 0.179 |
R-free | 0.24190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hrq |
RMSD bond length | 0.017 |
RMSD bond angle | 1.835 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.300 | 2.110 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.094 | 0.472 |
Rmeas | 0.106 | |
Rpim | 0.045 | 0.234 |
Number of reflections | 19828 | 935 |
<I/σ(I)> | 15.1 | |
Completeness [%] | 99.3 | 95.9 |
Redundancy | 5.37 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.225M MgCl2, 25% PEG 3350, 0.1M Bis- Tris (PH 5.5) |