5W0U

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

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	2016-04-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	P 1 2 1
Unit cell lengths	125.005, 39.777, 153.935
Unit cell angles	90.00, 90.14, 90.00

Refinement procedure

Resolution	153.935 - 2.900
R-factor	0.2521
Rwork	0.251
R-free	0.28140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w0r
RMSD bond length	0.006
RMSD bond angle	0.739
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]	153.935	3.070
High resolution limit [Å]	2.900	2.940
Rmerge	0.094	0.656
Rpim		0.313
Number of reflections	36653	3868
<I/σ(I)>	12.1	2.8
Completeness [%]	98.3	99.7
Redundancy	9.8	10.2
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, 20mM dCMP