6IMC

Crystal Structure of ALKBH1 in complex with Mn(II) and N-Oxalylglycine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	I 4
Unit cell lengths	147.898, 147.898, 178.044
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.164 - 2.510
R-factor	0.182
Rwork	0.180
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ima
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.14rc3_3206)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.090	0.038	0.776
Rmeas	0.098	0.041	0.849
Rpim	0.039	0.016	0.339
Total number of observations	388280
Number of reflections	64730	3282	3229
<I/σ(I)>	5.3
Completeness [%]	99.8	99.4	99.9
Redundancy	6	6.3	6
CC(1/2)		0.999	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	10% PEG6000, 0.1 M Bicine-HCL