9FW5

Retroaldolase 17 (RAD17)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-11
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	I 41
Unit cell lengths	107.108, 107.108, 52.415
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.550 - 2.900
R-factor	0.2396
Rwork	0.238
R-free	0.27520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.415
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.554	3.004
High resolution limit [Å]	2.900	2.900
Rmerge	0.111
Number of reflections	6735	645
<I/σ(I)>	11.89
Completeness [%]	99.5
Redundancy	10.4
CC(1/2)	0.997	0.525

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.1 M DL-Malic acid