4K7J

Peptidoglycan O-acetylesterase in action, 5 min

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	70.137, 79.982, 122.548
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.641 - 1.968
R-factor	0.1722
Rwork	0.167
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.143
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]	48.641	2.039
High resolution limit [Å]	1.968	1.968
Completeness [%]	99.3	99.34

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