3GAN

Crystal structure of gene product from Arabidopsis thaliana At3g22680 with bound suramin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97949
Spacegroup name	P 32 2 1
Unit cell lengths	58.381, 58.381, 90.287
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.000
R-factor	0.192
Rwork	0.190
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vk5
RMSD bond length	0.024
RMSD bond angle	2.382
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.090	0.063	0.458
Number of reflections	12503
<I/σ(I)>	19.77		2.469
Completeness [%]	99.8	99.6	98.7
Redundancy	7.1	6.7	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		297	Protein solution (10 mg/ml MSE Protein, 0.10 M NaCl, 0.0003 M TCEP, 0.010 M Suramin sodium salt, 0.01 M Hepes pH 7.0) mixed in a 1:1 ratio with the Well solution (1.1 M Sodium chloride, 1% DMSO, 0.10 M BTP pH 7.0). Cryoprotected with 20% Ethylene glycol, 1.8 M Sodium chloride, 1% DMSO, 0.10 M BTP pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 297K