4K9S

Peptidoglycan O-acetylesterase in action, setmet

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 21 21 21
Unit cell lengths	72.188, 79.069, 123.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.410 - 2.334
R-factor	0.1779
Rwork	0.173
R-free	0.26390
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.239
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.410	2.417
High resolution limit [Å]	2.334	2.334
Number of reflections	2673
Completeness [%]	88.5	98.13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	100 mM Hepes pH 7.5 10-40% Peg 10000 , VAPOR DIFFUSION, HANGING DROP, temperature 291.15K