5W0R

Crystal structure of MBP fused activation-induced cytidine deaminase (AID) in complex with cacodylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	36.960, 179.070, 188.080
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.809 - 2.400
R-factor	0.2203
Rwork	0.219
R-free	0.23930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vd8 3vow
RMSD bond length	0.005
RMSD bond angle	0.935
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	188.100	2.500
High resolution limit [Å]	2.400	2.420
Rmerge	0.109	1.354
Rpim		0.577
Number of reflections	48976	53182
<I/σ(I)>	11.4	1.5
Completeness [%]	99.3	84.3
Redundancy	11.9	5.6
CC(1/2)		0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	0.05 M sodium cacodylate at pH 5.5, 20 mM MgCl2, 10 mM CaCl2, 10 mM spermidine, 5% PEG3350