9FW7

Retroaldolase 32 (RAD32)

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	2024-02-28
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 31
Unit cell lengths	60.510, 60.510, 41.320
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.450 - 2.000
R-factor	0.2191
Rwork	0.216
R-free	0.27190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.517
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.450	2.200
High resolution limit [Å]	2.000	2.000
Number of reflections	15322	3822
<I/σ(I)>	5.7
Completeness [%]	99.9
Redundancy	10.8
CC(1/2)	0.996	0.566

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	0.1 M MIB (sodium malonate dibasic monohydrate, imidazole, and boric acid), 15% PEG1500