3KU0

Structure of GAP31 with adenine at its binding pocket

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	125
Detector technology	CCD
Collection date	2003-10-01
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	48.373, 44.395, 137.270
Unit cell angles	90.00, 98.38, 90.00

Refinement procedure

Resolution	47.350 - 1.900
R-factor	0.2
Rwork	0.200
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.350	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.041
Number of reflections	46674
Completeness [%]	96.4	71

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	300	100 mM Tris-HCl, pH 8.5, 2.0 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 300K
1	VAPOR DIFFUSION, HANGING DROP	8.5	300	100 mM Tris-HCl, pH 8.5, 2.0 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 300K
1	VAPOR DIFFUSION, HANGING DROP	8.5	300	100 mM Tris-HCl, pH 8.5, 2.0 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 300K