8ZED

Crystal structure of aldolase AtoB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	293.15
Detector technology	PIXEL
Collection date	2023-10-26
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	51.562, 122.893, 69.728
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.320 - 2.370
R-factor	0.2631
Rwork	0.260
R-free	0.32100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6u9i
RMSD bond length	0.001
RMSD bond angle	0.383
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.320	2.455
High resolution limit [Å]	2.370	2.370
Number of reflections	27839	2960
<I/σ(I)>	4.34
Completeness [%]	78.8
Redundancy	3.1
CC(1/2)	0.979	0.847

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