4NSW

Crystal structure of the BAR-PH domain of ACAP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00000
Spacegroup name	P 1 21 1
Unit cell lengths	42.460, 59.720, 168.950
Unit cell angles	90.00, 91.40, 90.00

Refinement procedure

Resolution	29.850 - 2.200
R-factor	0.214
Rwork	0.211
R-free	0.26600
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.459
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.850	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.082	0.418
Number of reflections	41826
<I/σ(I)>	21.3	3.96
Completeness [%]	96.9	95.6
Redundancy	3.6	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	289	0.2M AMMONIUM CITRATE, 10% PEG3350, 6.0MM OCTYL BETA-THIOGLUCOPYRANOSIDE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K
1	VAPOR DIFFUSION, HANGING DROP	7	289	0.2M AMMONIUM CITRATE, 10% PEG3350, 6.0MM OCTYL BETA-THIOGLUCOPYRANOSIDE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K