4XAI

Crystal Structure of red flour beetle NR2E1/TLX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.07820
Spacegroup name	P 21 21 21
Unit cell lengths	64.782, 84.098, 262.437
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.270 - 2.600
R-factor	0.2111
Rwork	0.207
R-free	0.26160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID's 4MY2 and 4LOG
RMSD bond length	0.004
RMSD bond angle	0.908
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.730
High resolution limit [Å]	2.580	2.600
Rmerge	0.078
Number of reflections	81089
<I/σ(I)>	7.8	1.5
Completeness [%]	92.8	85.9
Redundancy	2.4	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.4	298	PEG 3350