1I3V

THREE-DIMENSIONAL STRUCTURE OF A LAMA VHH DOMAIN UNLIGANDED

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	41.669, 56.088, 102.365
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 * - 2.030
R-factor	0.211 *
Rwork	0.212
R-free	0.24400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i3u
RMSD bond length	0.015 *
RMSD bond angle	2.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.120
High resolution limit [Å]	2.010	2.010
Rmerge	0.046 *	0.169 *
Total number of observations	57618 *
Number of reflections	16273
<I/σ(I)>		4
Completeness [%]	94.6	94.6
Redundancy	2.2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	20 *	PEG MME 5000, Sodium Acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6.7 (mg/ml)
2	1	reservoir	PEG5000 MME	22 (%)
3	1	reservoir	sodium acetate	0.1 (M)	pH5.5