5W8P

Homoserine transacetylase MetX from Mycobacterium abscessus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 65
Unit cell lengths	197.920, 197.920, 51.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.480 - 1.690
R-factor	0.1587
Rwork	0.158
R-free	0.17400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w8o
RMSD bond length	0.006
RMSD bond angle	0.789
Data reduction software	XDS (VERSION Nov 1, 2016 BUILT=20161205)
Data scaling software	XSCALE (VERSION Nov 1, 2016 BUILT=20161205)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (dev_2722)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.480	49.480	1.730
High resolution limit [Å]	1.690	7.560	1.690
Rmerge	0.124	0.067	0.963
Rmeas	0.137	0.073	1.057
Total number of observations	723417
Number of reflections	128103	1546	9348
<I/σ(I)>	8.7	21.31	1.78
Completeness [%]	99.3	98.8	98.9
Redundancy	5.647	5.755	5.793
CC(1/2)	0.994	0.993	0.678

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	294	1.2M SODIUM DIHYDROGEN PHOSPHATE, 0.8M DIPOTASSIUM HYDROGEN PHOSPHATE, 0.2M LITHIUM SULFATE, 0.1 M CHES PH 9.0