6TEJ

Structure of apo IrtAB devoid SID in complex with sybody Syb_NL5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-02
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	103.060, 78.580, 133.570
Unit cell angles	90.00, 98.20, 90.00

Refinement procedure

Resolution	47.430 - 2.700
R-factor	0.2655
Rwork	0.264
R-free	0.29610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4q4h
Data reduction software	XSCALE
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.430	47.430	2.770
High resolution limit [Å]	2.700	12.070	2.700
Rmerge	0.105	0.017	1.688
Rmeas	0.114	0.019	1.825
Total number of observations	399690
Number of reflections	58376	695	4282
<I/σ(I)>	15.03	82.98	1.21
Completeness [%]	99.9	97.5	100
Redundancy	6.847	6.351	6.928
CC(1/2)	0.999	1.000	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
3	VAPOR DIFFUSION, SITTING DROP	7.5	277	28% (V/V) PEG 400, 0.2M NaCl, 0.1M HEPES