6B09
Crystal structure of HsNUDT16 in complex with diADPR (soaked)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ DW |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-17 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5417 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 113.395, 47.063, 75.792 |
Unit cell angles | 90.00, 108.74, 90.00 |
Refinement procedure
Resolution | 37.620 - 3.200 |
R-factor | 0.2566 |
Rwork | 0.256 |
R-free | 0.27910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.842 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.000 | 60.000 | 3.260 |
High resolution limit [Å] | 3.200 | 8.680 | 3.200 |
Rmerge | 0.167 | 0.049 | 0.592 |
Rmeas | 0.214 | 0.064 | 0.759 |
Rpim | 0.131 | 0.041 | 0.469 |
Total number of observations | 13751 | ||
Number of reflections | 6140 | 315 | 320 |
<I/σ(I)> | 6 | ||
Completeness [%] | 91.4 | 85.8 | 95.5 |
Redundancy | 2.2 | 2 | 2.1 |
CC(1/2) | 0.991 | 0.510 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 9.5 | 293 | PEG 8000, CHES |