9VLL

Crystal structure of QatB-QatC complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-16
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9793
Spacegroup name	I 2 2 2
Unit cell lengths	115.410, 119.590, 120.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.898 - 2.580
R-factor	0.203
Rwork	0.197
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.212
Phasing software	PHENIX (1.9-1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.900	30.000	2.650
High resolution limit [Å]	2.580	5.000	2.580
Rmerge	0.400	0.154	3.085
Rmeas	0.417	0.161	3.204
Number of reflections	26501	3787	2016
<I/σ(I)>	9.32
Completeness [%]	99.8		99.9
Redundancy	13.1
CC(1/2)	0.995	0.998	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% (w/v) SOKALAN CP42, 0.1M Tris-HCl pH 8.5