8YYE

Crystal structure of lipase CTL (Caldibacillus Thermoamylovorans)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-01-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	P 1 21 1
Unit cell lengths	48.859, 148.965, 58.884
Unit cell angles	90.00, 100.95, 90.00

Refinement procedure

Resolution	40.930 - 2.520
R-factor	0.2029
Rwork	0.199
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.912
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]	57.810	2.650
High resolution limit [Å]	2.520	2.520
Number of reflections	27750	27750
<I/σ(I)>	4.5
Completeness [%]	98.9
Redundancy	4.7
CC(1/2)	0.955	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.9	289.15	200 mM zinc acetate, 100 mM sodium acetate/acetic acid (pH 4.9), 11% polyethylene glycol 3000