8HY5

Structure of D-amino acid oxidase mutant R38H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2022-11-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97989
Spacegroup name	P 1 21 1
Unit cell lengths	43.756, 74.164, 99.037
Unit cell angles	90.00, 91.46, 90.00

Refinement procedure

Resolution	34.960 - 2.100
R-factor	0.2081
Rwork	0.207
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2du8
RMSD bond length	0.003
RMSD bond angle	0.581
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.500	2.100
High resolution limit [Å]	2.100	2.100
Number of reflections	37081	2993
<I/σ(I)>	13.4
Completeness [%]	100.0
Redundancy	7.5
CC(1/2)	0.999	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	26% PEG 2000 methyl ether, 0.1M Potassium Thiocyanate