7L1E

The Crystal Structure of Bromide-Bound GtACR1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	61.660, 77.640, 73.630
Unit cell angles	90.00, 95.59, 90.00

Refinement procedure

Resolution	44.940 - 3.200
R-factor	0.2435
Rwork	0.241
R-free	0.28590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6edq
RMSD bond length	0.003
RMSD bond angle	0.719
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.940	3.280
High resolution limit [Å]	3.200	3.200
Number of reflections	11033	11033
<I/σ(I)>	2.84
Completeness [%]	95.6
Redundancy	20
CC(1/2)	0.975	0.975

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	15% 2-methyl-2,4-pentanediol (MPD), 0.1 M NaBr with buffer 0.1 MES, pH 5.5