7EPJ

Crystal structure of E.coli CcdB mutant V46L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0358
Spacegroup name	C 1 2 1
Unit cell lengths	75.100, 36.760, 35.910
Unit cell angles	90.00, 115.19, 90.00

Refinement procedure

Resolution	33.979 - 1.354
Rwork	0.162
R-free	0.18440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vub
RMSD bond length	0.014
RMSD bond angle	1.922
Data reduction software	MOSFLM (7.2.2)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.980	1.430
High resolution limit [Å]	1.350	1.350
Rmerge	0.098	0.288
Rmeas	0.108	0.322
Rpim	0.043	0.141
Number of reflections	19433	2799
<I/σ(I)>	11.6	3.7
Completeness [%]	100.0	100
Redundancy	5.9	5.1
CC(1/2)	0.994	0.928

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.1	291	200mM CaCl2, 25% PEG 3350