5W8O

Homoserine transacetylase MetX from Mycobacterium hassiacum

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	2017-06-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 1 21 1
Unit cell lengths	47.750, 93.230, 81.590
Unit cell angles	90.00, 94.78, 90.00

Refinement procedure

Resolution	47.584 - 1.470
R-factor	0.1545
Rwork	0.153
R-free	0.18330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i1i
RMSD bond length	0.005
RMSD bond angle	0.765
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]	47.584	47.584	1.510
High resolution limit [Å]	1.470	6.570	1.470
Rmerge	0.040	0.013	1.013
Rmeas	0.047	0.015	1.183
Total number of observations	448067
Number of reflections	118675	1373	8863
<I/σ(I)>	18.01	71.84	1.46
Completeness [%]	98.3	98.1	99.1
Redundancy	3.776	3.845	3.78
CC(1/2)	1.000	1.000	0.695

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	294	0.15M CALCIUM ACETATE, 21% PEG3350, 3% 1,6-DIAMINOHEXANE, 0.05M CHES PH 9.5