4K40

Peptidoglycan O-acetylesterase in action, 0 min

Experimental procedure

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	71.872, 79.493, 124.383
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.000 - 2.634
R-factor	0.169
Rwork	0.165
R-free	0.23770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.209
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.728
High resolution limit [Å]	2.634	2.634
Number of reflections	2013
<I/σ(I)>	8.02
Completeness [%]	98.3	94.29

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