7AWK

Crystal structure of the HigB1 toxin mutant K95A from Mycobacterium tuberculosis (Rv1955)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-12
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 2
Unit cell lengths	43.975, 82.054, 38.047
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.027 - 1.910
Rwork	0.212
R-free	0.27340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Model
RMSD bond length	0.013
RMSD bond angle	1.833
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.950
High resolution limit [Å]	1.900	1.900
Rmeas	0.120	1.320
Number of reflections	11202	739
<I/σ(I)>	9.22	1.33
Completeness [%]	98.9	92.7
Redundancy	6.7
CC(1/2)	0.990	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		285	0.1 M Na acetate pH 4.6, 30 % (w/v) PEG 4K, 0.2 M ammonium acetate