5W1C

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

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 1 2 1
Unit cell lengths	125.456, 39.824, 155.304
Unit cell angles	90.00, 90.27, 90.00

Refinement procedure

Resolution	125.455 - 3.180
R-factor	0.2341
Rwork	0.232
R-free	0.26990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w0r
RMSD bond length	0.008
RMSD bond angle	1.054
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	155.300	3.360
High resolution limit [Å]	3.180	3.180
Rmerge		0.543
Rpim		0.335
Number of reflections	28767	4138
<I/σ(I)>	8.9	2.5
Completeness [%]	99.3	99.7
Redundancy	6.5	6.9
CC(1/2)		0.974

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	289	0.1 M MES at pH 6.2, 3% PEG3350, 10 mM CaCl2 and 20mM Cytidine