6QP2

Crystal structure of the PLP-bound C-S lyase from Staphylococcus hominis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	120
Detector technology	PIXEL
Collection date	2017-10-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	54.751, 113.633, 118.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.400 - 1.600
R-factor	0.193
Rwork	0.191
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dq6
RMSD bond length	0.020
RMSD bond angle	1.364
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.400	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.098	2.628
Rmeas	0.105	2.805
Rpim	0.037	0.973
Total number of observations	784938
Number of reflections	97945	4791
<I/σ(I)>	11.4
Completeness [%]	100.0	100
Redundancy	8	8.2
CC(1/2)	0.999	0.336

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298.15	4% Tacsimate pH 6.0, 12% PEG 3,350 (F1: PEG/ION HT)