3ZYK

Structure of CALM (PICALM) ANTH domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-07
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	73.541, 78.313, 120.217
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.009 - 1.800
R-factor	0.1833
Rwork	0.182
R-free	0.21560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hf8
RMSD bond length	0.009
RMSD bond angle	1.077
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.500	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.100	0.860
Number of reflections	64198
<I/σ(I)>	14.4	3.1
Completeness [%]	98.9	98.1
Redundancy	14.1	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	CRYSTALS WERE GROWN IN SITTING DROPS CONTAINING EQUAL AMOUNTS (200-400 NL) OF PROTEIN (15 MG/ML IN 20 MM HEPES PH 7.4, 120 MM NACL, 4 MM DTT) AND RESERVOIR SOLUTION (100 MM BIS TRIS PROPANE, 200 MM SODIUM MALONATE, 20% (W/V) PEG 3350) AND EQUILIBRATED AGAINST 80 UL OF RESERVOIR SOLUTION AT 16C. CRYSTALS WERE CRYOPROTECTED BY BRIEF IMMERSION (5-60 S) IN RESERVOIR SOLUTION SUPPLEMENTED WITH 25% GLYCEROL AND WERE RAPIDLY CRYOCOOLED IN LIQUID N2 OR A 100 K STREAM OF N2 GAS.