5GSO
Crystal Structures of EV71 3C Protease in complex with NK-1.8k
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | Cu FINE FOCUS |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-05-08 |
Detector | RIGAKU SATURN 70 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 95.012, 70.691, 94.931 |
Unit cell angles | 90.00, 118.24, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.600 |
R-factor | 0.215 |
Rwork | 0.211 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3osy |
RMSD bond length | 0.013 |
RMSD bond angle | 1.852 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 7.050 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.097 | 0.509 |
Number of reflections | 32158 | |
<I/σ(I)> | 10.4 | |
Completeness [%] | 98.8 | |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 289 | 0.1M Tris-HCl, pH7.7, 200mM Sodium Citrate, 32% PEG 3350 |