2AB5

bI3 LAGLIDADG Maturase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-12-02
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	63.600, 80.200, 66.400
Unit cell angles	90.00, 115.50, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.211
Rwork	0.208
R-free	0.26500
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.318
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.082	0.303
Number of reflections	30022
<I/σ(I)>	11	2.4
Completeness [%]	99.1	94.8
Redundancy	3.1	2.51

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	n-tetradecyl-beta-D-maltoside, PEG MME 5000, Ammonium sulfate, MES, pH 6.5, vapor diffusion, sitting drop, temperature 294K
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	n-tetradecyl-beta-D-maltoside, PEG MME 5000, Ammonium sulfate, MES, pH 6.5, vapor diffusion, sitting drop, temperature 294K
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	n-tetradecyl-beta-D-maltoside, PEG MME 5000, Ammonium sulfate, MES, pH 6.5, vapor diffusion, sitting drop, temperature 294K
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	n-tetradecyl-beta-D-maltoside, PEG MME 5000, Ammonium sulfate, MES, pH 6.5, vapor diffusion, sitting drop, temperature 294K