5X3F

Crystal structure of the YgjG-Protein A-Zpa963-PKA catalytic domain

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]	80
Detector technology	CCD
Collection date	2016-12-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97934
Spacegroup name	I 2 2 2
Unit cell lengths	140.518, 153.496, 205.714
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.380
R-factor	0.1918
Rwork	0.190
R-free	0.22732
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uoy 2m5a 4nts
RMSD bond length	0.010
RMSD bond angle	1.515
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.520
High resolution limit [Å]	3.380	3.380
Number of reflections	31056
<I/σ(I)>	13.7
Completeness [%]	99.7	99.7
Redundancy	6.5	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	296	91mM MES pH 5.5, 2.33M Na formate