6JG9

Crystal structure of AimR in complex with arbitrium peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9778
Spacegroup name	P 21 21 2
Unit cell lengths	120.926, 213.996, 33.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.123 - 1.998
R-factor	0.2151
Rwork	0.213
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xyb
RMSD bond length	0.010
RMSD bond angle	1.094
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14rc3_3206: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.123	2.070
High resolution limit [Å]	2.000	2.000
Number of reflections	60685
<I/σ(I)>	39.1
Completeness [%]	100.0
Redundancy	25.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	sodium cacodylate, PEG 8000, NaBr, DTT