9JLM

Crystal structure of aldolase AtoB 1.9A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	293.15
Detector technology	PIXEL
Collection date	2024-09-16
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	51.228, 70.074, 51.834
Unit cell angles	90.00, 101.95, 90.00

Refinement procedure

Resolution	41.080 - 1.900
R-factor	0.2131
Rwork	0.210
R-free	0.26280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.906
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.15.1_3469)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.080	1.968
High resolution limit [Å]	1.900	1.900
Number of reflections	27870	2627
<I/σ(I)>	8.51
Completeness [%]	98.0
Redundancy	6.4
CC(1/2)	0.989	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.06 M magnesium chloride hexahydrate, 0.06 M Calcium chloride dihydrate, 0.1 M Sodium HEPES, 0.1M MOPS(acid), pH 6.5, 12.5% glycerol, 12.5% PEG1000, and 12.5% PEG3350