3QOF

Crystal structure of the cytosolic domain of human atlastin-1 in complex with GDP, orthorhombic form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-14
Detector	MAR CCD 165 mm
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	104.742, 133.445, 176.266
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.802
R-factor	0.2274
Rwork	0.225
R-free	0.26680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qnu
RMSD bond length	0.008
RMSD bond angle	1.314
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.751	50.000	2.960
High resolution limit [Å]	2.800	4.790	2.800
Rmerge	0.078	0.053	0.301
Number of reflections	60656
<I/σ(I)>	12.1	34.6	3.6
Completeness [%]	98.8	99.4	91.6
Redundancy	7.2	7.6	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	293	0.1M Tris-HCl, pH8.3, 25%(w/v) PEG 3350, 0.1M (NH4)2HPO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K