4MDV

Crystal structure of calcium-bound annexin (Sm)1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-08
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.3378
Spacegroup name	P 1 21 1
Unit cell lengths	67.822, 88.486, 68.465
Unit cell angles	90.00, 111.18, 90.00

Refinement procedure

Resolution	24.100 - 2.500
R-factor	0.1937
Rwork	0.190
R-free	0.25710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mdu
RMSD bond length	0.011
RMSD bond angle	1.188
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.100
High resolution limit [Å]	2.500	2.500
Number of reflections	26180
Completeness [%]	99.8	99.5
Redundancy	3.8	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	289	12.5% PEG2000, 50 mM TRIS, VAPOR DIFFUSION, HANGING DROP, temperature 289K, pH 9.0