9TCF

Crystal Structure of Cystathionine beta-Synthase from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	341.829, 109.545, 69.978
Unit cell angles	90.00, 100.47, 90.00

Refinement procedure

Resolution	68.810 - 3.430
Rwork	0.247
R-free	0.28620
Structure solution method	MOLECULAR REPLACEMENT
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	68.810	3.560
High resolution limit [Å]	3.430	3.440
Rmerge	0.191	1.750
Rmeas	0.207
Rpim	0.079	0.714
Number of reflections	28484	1425
<I/σ(I)>	8.2
Completeness [%]	90.1
Redundancy	6.8
CC(1/2)	0.997	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	12% (w/v) PEG 3000 and magnesium acetate at pH 7.5, using protein samples at 21 mg/mL