7QEJ

Structure of the ligand binding domain of the antibiotic biosynthesis regulator AdmX from the rhizobacterium Serratia plymuthica A153 bound to the auxin indole-3-acetic acid (IAA).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	87.120, 92.145, 49.922
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.310 - 1.810
R-factor	0.1811
Rwork	0.180
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AF2
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	Arcimboldo
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.310	63.310	1.900
High resolution limit [Å]	1.810	5.710	1.810
Rmerge	0.068	0.032	0.736
Rmeas	0.078	0.037	0.839
Rpim	0.037	0.018	0.395
Total number of observations	155653	4830	23342
Number of reflections	37280	1308	5406
<I/σ(I)>	10.4	26.9	1.5
Completeness [%]	99.2	98.2	99.8
Redundancy	4.2	3.7	4.3
CC(1/2)	0.998	0.999	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	COUNTER-DIFFUSION	8.5	293	C1: 30%PEG 4K, 0.2M Mg Chloride, 0.1M Tris-HCl pH 8.50