7BH3

XFEL structure of CTX-M-15 resting state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL2
Synchrotron site	SACLA
Beamline	BL2
Temperature [K]	307
Detector technology	CCD
Collection date	2019-07-12
Detector	RAYONIX MX300-HS
Wavelength(s)	1.2404
Spacegroup name	P 21 21 21
Unit cell lengths	44.886, 45.601, 117.572
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.990 - 1.600
R-factor	0.2485
Rwork	0.246
R-free	0.29640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qw8
RMSD bond length	0.011
RMSD bond angle	1.123
Data reduction software	cctbx.xfel
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.790	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	32656	1585
<I/σ(I)>	18.484	0.45
Completeness [%]	100.0	100
Redundancy	26.45
CC(1/2)	0.833	0.020

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	2.0 M ammonium sulphate, 0.1 M Tris 8.0