9JMY

Crystal structure of IRED in complex with NADPH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	LIQUID ANODE
Source details	BRUKER METALJET
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-08
Detector	Bruker PHOTON III
Wavelength(s)	1.34138
Spacegroup name	P 31 2 1
Unit cell lengths	75.831, 75.831, 157.008
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.880 - 2.150
R-factor	0.17744
Rwork	0.174
R-free	0.24301
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.519
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.880	2.180
High resolution limit [Å]	2.150	2.150
Rmerge	0.071	0.213
Number of reflections	29044	1159
<I/σ(I)>	14.12
Completeness [%]	99.3	97.6
Redundancy	5.64	3.14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	0.03 M CaCl2, 0.1M MES pH 6.0, 49% v/v PEG 200