1I4A

CRYSTAL STRUCTURE OF PHOSPHORYLATION-MIMICKING MUTANT T6D OF ANNEXIN IV

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Spacegroup name	H 3
Unit cell lengths	119.060, 119.060, 82.160
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	100.000 - 2.000
Rwork	0.204
R-free	0.23000 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ann
RMSD bond length	0.005
RMSD bond angle	1.050 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Rmerge	0.065	0.124 *
Number of reflections	28686
<I/σ(I)>	16
Completeness [%]	97.9 *	99.2 *
Redundancy	2	1.97 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5	17 *	ammonium sulfate, sodium acetate, calcium chloride, pH 5.0, VAPOR DIFFUSION, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	14 (mg/ml)
2	1	drop	calcium	20 (mM)
3	1	reservoir	ammonium sulfate	20-35 (%sat)
4	1	reservoir	sodium acetate	100 (mM)
5	1	reservoir	sodium azide	0.02 (%)
6	1	reservoir	dithiothreitol	2 (mM)
7	1	reservoir		10 (mM)