3GXA

Crystal structure of GNA1946

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-11-02
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.5415
Spacegroup name	P 21 21 21
Unit cell lengths	108.395, 122.809, 160.906
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.550 - 2.250
R-factor	0.206
Rwork	0.206
R-free	0.23900
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.350
High resolution limit [Å]	2.250	2.250
Number of reflections	96412
<I/σ(I)>	2.1
Completeness [%]	94.4	94.4
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	293	0.1M Citrc Acid, 2M ammonium sulfate, 0.5% N-Dodecyl-beta-D-Maltoside, pH 3.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	3.5	293	0.1M Citrc Acid, 2M ammonium sulfate, 0.5% N-Dodecyl-beta-D-Maltoside, pH 3.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	3.5	293	0.1M Citrc Acid, 2M ammonium sulfate, 0.5% N-Dodecyl-beta-D-Maltoside, pH 3.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K