8QFJ
Room temperature crystal structure of the Photoactivated Adenylate Cyclase OaPAC after blue light excitation at 2.3 us delay
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | EUROPEAN XFEL BEAMLINE SPB/SFX |
Synchrotron site | European XFEL |
Beamline | SPB/SFX |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2022-05-07 |
Detector | AGIPD |
Wavelength(s) | 1.3332 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 54.300, 145.800, 105.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.630 - 1.900 |
R-factor | 0.2995 |
Rwork | 0.297 |
R-free | 0.35460 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.751 |
Data reduction software | CrystFEL (0.10.1) |
Refinement software | Xtrapol8 (1.2.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.630 | 1.880 |
High resolution limit [Å] | 1.815 | 1.815 |
Number of reflections | 37632 | 3250 |
<I/σ(I)> | 1.3 | 0.8 |
Completeness [%] | 98.5 | 86.37 |
Redundancy | 936 | 563 |
CC(1/2) | 0.988 | 0.448 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 277 | 45% protein at 12 mg/mL : 50 mM TRIS/HCl pH 8.5, 50 mM sodium chloride, 5 mM ATP 45% crystallization buffer : 100 mM SPG buffer pH 7.0, 1.2 M disodium succinate, 100 mM guanidine hydrochloride, 5 mM magnesium chloride 10% seeds from crushed macrocrystals |