6QP1

Crystal structure of the PLP-bound C-S lyase in the external aldimine form from Staphylococcus hominis complexed with an inhibitor, L-cycloserine.

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	2018-07-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	55.466, 115.456, 118.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.990 - 1.420
R-factor	0.1921
Rwork	0.191
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dq6
RMSD bond length	0.012
RMSD bond angle	1.625
Data scaling software	Aimless (0.7.1)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.880	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.103	2.503
Rmeas	0.110	2.673
Rpim	0.039	0.929
Number of reflections	143873	7011
<I/σ(I)>	9.8
Completeness [%]	99.6	99.1
Redundancy	7.9	8
CC(1/2)	0.997	0.331

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, Hampton Research), 20mM L-cycloserine