8KHL

(S)-citramalyl-CoA lyase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	I 1 2 1
Unit cell lengths	96.107, 79.067, 121.783
Unit cell angles	90.00, 102.09, 90.00

Refinement procedure

Resolution	28.570 - 2.400
R-factor	0.219
Rwork	0.217
R-free	0.25220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.404
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.570	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	34796	3645
<I/σ(I)>	9.1
Completeness [%]	99.3
Redundancy	4.9
CC(1/2)	0.989	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	290	8%v/v TacsimateTM, pH 8.0, 20% PEG 3350