8CDA

Crystal structure of MAB_4123 from Mycobacterium abscessus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-12
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96546
Spacegroup name	P 1 21 1
Unit cell lengths	131.910, 134.180, 206.800
Unit cell angles	90.00, 90.68, 90.00

Refinement procedure

Resolution	47.940 - 2.100
R-factor	0.179
Rwork	0.179
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.419
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.940	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.077	1.027
Rmeas	0.093
Number of reflections	413629	413476
<I/σ(I)>	10.74	1.2
Completeness [%]	98.8	98.3
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	1.5 M Ammonium phosphate dibasic and 0.1M Tris pH 8.5