1E20

The FMN binding protein AtHal3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF NONIUS
Temperature [K]	120
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Spacegroup name	P 63
Unit cell lengths	112.309, 112.309, 33.182
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	12.000 - 2.020
R-factor	0.21 *
Rwork	0.210
R-free	0.26300 *
Structure solution method	SIRAS
RMSD bond length	0.014
RMSD bond angle	0.034
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.600 *	2.120
High resolution limit [Å]	2.020	2.020
Rmerge	0.091 *	0.404 *
Number of reflections	15729
<I/σ(I)>	6	1.8
Completeness [%]	97.1	90.5 *
Redundancy	2.9 *	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *		2.5 M AMMONIUM SULPHATE, PH 7.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	0.1 (M)
3	1	drop	imidazole	0.1 (M)
4	1	drop	beta-mercaptoethanol	5 (mM)
5	1	reservoir	Tris-HCl	0.1 (M)
6	1	reservoir	ammonium sulfate	2.5 (M)