6PQK
Cryogenic crystal structure of barnase A43C/S80C bound to barstar C40A/S59C/A67C/C82A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2019-04-25 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.92013 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.704, 68.404, 166.723 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.590 - 1.200 |
R-factor | 0.1379 |
Rwork | 0.138 |
R-free | 0.16000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.822 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.220 |
High resolution limit [Å] | 1.200 | 3.260 | 1.200 |
Rmerge | 0.083 | 0.042 | 0.637 |
Rmeas | 0.087 | 0.044 | 0.733 |
Rpim | 0.024 | 0.012 | 0.351 |
Total number of observations | 1298292 | ||
Number of reflections | 110616 | 7040 | 1649 |
<I/σ(I)> | 5.5 | ||
Completeness [%] | 83.6 | 99.3 | 25.2 |
Redundancy | 11.7 | 13.2 | 3.6 |
CC(1/2) | 0.999 | 0.694 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 50mM NaPO4 pH 6.5, 25% PEG 8K, 0.1M AmSO4 4uL protein at 10-15 mg/mL in H2O + 4uL motherliquor per hanging drop, over 1 mL motherliquor in well. cryoprotectant used before freezing was: 12.5% glycerol + 12.5% ethylene glycol |