7ARA
Rhinovirus A2 2A protease in complex with zVAM.fmk
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-01 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 74.647, 74.647, 160.831 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 60.000 - 2.243 |
R-factor | 0.2162 |
Rwork | 0.214 |
R-free | 0.25720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hrv |
RMSD bond length | 0.005 |
RMSD bond angle | 0.973 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (v1.17.1-3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 64.646 | 64.646 | 2.546 |
High resolution limit [Å] | 2.243 | 8.188 | 2.243 |
Rmerge | 0.188 | 0.050 | 2.074 |
Rmeas | 0.194 | 0.052 | 2.131 |
Rpim | 0.044 | 0.013 | 0.484 |
Total number of observations | 232197 | 10517 | 11545 |
Number of reflections | 12111 | 604 | 608 |
<I/σ(I)> | 12.9 | 38.3 | 1.8 |
Completeness [%] | 93.3 | 99.8 | 80.3 |
Redundancy | 19.2 | 17.4 | 19 |
CC(1/2) | 0.998 | 0.998 | 0.583 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 7.5 % PEG8000, 0.3 M KCNS, 5 % 2-methyl-2-butanol, 10 % glycerol, 10 mM b-mercaptoethanol and 50 mM sodium-potassium phosphate buffer pH 8.0 |