5COC

Fusion protein of human calmodulin and B4 domain of protein A from staphylococcal aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	77
Detector technology	CCD
Collection date	2014-06-13
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	I 41
Unit cell lengths	98.807, 98.807, 31.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.246 - 2.669
R-factor	0.2111
Rwork	0.206
R-free	0.25870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2spz 1cll
RMSD bond length	0.009
RMSD bond angle	1.105
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.800
High resolution limit [Å]	2.669	5.810	2.669
Rmerge	0.099	0.043	0.576
Total number of observations	26545
Number of reflections	4463
<I/σ(I)>	10.4
Completeness [%]	99.6	97.9	99.5
Redundancy	5.9	5.9	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		298	10% w/v PEG 1000, 10% w/v PEG 8000