5EFZ

Monoclinic structure of the acetyl esterase MekB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-27
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	88.848, 110.342, 122.817
Unit cell angles	90.00, 106.89, 90.00

Refinement procedure

Resolution	46.280 - 1.820
R-factor	0.1633
Rwork	0.163
R-free	0.19630
RMSD bond length	0.012
RMSD bond angle	1.217
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.280	1.859
High resolution limit [Å]	1.820	1.820
Rmerge		0.893
Number of reflections	201791
<I/σ(I)>	10.4	1.4
Completeness [%]	99.6	98
Redundancy	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1 M sodium acetate pH 4.5 0.8 M sodium dihydrogen phosphate 1.2 M di-potassium hydrogen phosphate Drop: 0.1 microliter ethylene glycol 0.8 microliter protein solution 0.8 microliter reservoir solution