5V12

Crystal structure of Carbon Sulfoxide lyase, Egt2 Y134F with sulfenic acid intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	P 1 21 1
Unit cell lengths	104.021, 195.158, 110.100
Unit cell angles	90.00, 91.47, 90.00

Refinement procedure

Resolution	49.577 - 2.451
R-factor	0.2227
Rwork	0.222
R-free	0.27170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uts
RMSD bond length	0.004
RMSD bond angle	0.607
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.10.1_2155))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.450
Number of reflections	146021
<I/σ(I)>	8.46
Completeness [%]	91.2
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	30% PEG 3350, 50mM HEPES pH 7.5, 200mM sodium formate