6ZUI

Crystal structure of the Cys-Ser mutant of the cpYFP-based biosensor for hypochlorous acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-03-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980113
Spacegroup name	C 2 2 21
Unit cell lengths	90.232, 95.437, 106.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.718 - 2.200
R-factor	0.202233998777
Rwork	0.199
R-free	0.27294
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yze 3o77
RMSD bond length	0.010
RMSD bond angle	1.004
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.720	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.079	0.620
Number of reflections	22368	924
<I/σ(I)>	16.1
Completeness [%]	83.0
Redundancy	9.3
CC(1/2)	0.999	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	283.15	Tris (0.1 M, pH 8), CaCl2 (0.1 M), MgCl2 (0.1 M) and PE15/4 (15%) Protein concentration:7 mg/mL