3T9K

Crystal Structure of ACAP1 C-portion mutant S554D fused with integrin beta1 peptide

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	2009-12-18
Detector	RAYONIX MX-225
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	108.258, 164.871, 41.665
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.300
R-factor	0.19056
Rwork	0.189
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jue
RMSD bond length	0.012
RMSD bond angle	1.351
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge		0.410
Number of reflections	37309
Completeness [%]	97.3	83.8
Redundancy		7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	289	0.2M ammonium sulfate, 14% PEG 3350, 0.1M Sodium Citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K