6QP3

Crystal structure of the PLP-bound C-S lyase from Bacillus subtilis (strain 168)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	120
Detector technology	PIXEL
Collection date	2018-10-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	75.279, 105.526, 209.576
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.280 - 2.300
R-factor	0.2101
Rwork	0.208
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dq6
RMSD bond length	0.009
RMSD bond angle	1.652
Data scaling software	Aimless (0.7.3)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.280	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.197	1.195
Rmeas	0.210	1.295
Rpim	0.071	0.479
Number of reflections	72159	3803
<I/σ(I)>	8.7
Completeness [%]	96.1	82.8
Redundancy	7.9	5.6
CC(1/2)	0.991	0.574

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	298.15	0.2M Ammonium acetate, 20% PEG 3,350, pH 7.1