7XQM

InDel-mutant short chain Dehydrogenase bound to SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	136.380, 82.760, 92.660
Unit cell angles	90.00, 112.00, 90.00

Refinement procedure

Resolution	44.010 - 2.710
R-factor	0.1811
Rwork	0.181
R-free	0.18150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2d1y
RMSD bond length	0.014
RMSD bond angle	1.551
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.010	8.130
High resolution limit [Å]	2.700	2.710
Number of reflections	25837	25801
<I/σ(I)>	24.05
Completeness [%]	98.6
Redundancy	2.8
CC(1/2)	0.997	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	6% v/v 2-propanol, 0.1 M sodium acetate trihydrate pH 4.5 and 26% v/v polyethylene glycol