9MYB

Crystal structure of unliganded retro-aldolase RA95-Shell (280 K)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	280
Detector technology	PIXEL
Collection date	2023-04-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.1
Spacegroup name	P 21 21 2
Unit cell lengths	85.606, 64.782, 41.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.800 - 1.770
R-factor	0.1849
Rwork	0.183
R-free	0.21990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.560
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13.2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.660	1.800
High resolution limit [Å]	1.770	1.770
Rmerge		1.443
Number of reflections	22968	1126
<I/σ(I)>	7
Completeness [%]	100.0
Redundancy	6.3
CC(1/2)	0.991	0.408

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	278	0.1 M sodium acetate pH 4.4, 19% PEG 3000, 6 mg/mL protein, 20 mM potassium phosphate pH 7.4, 50 mM NaCl