8K62

Crystal structure of ALKBH1 and 13h complex.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 65
Unit cell lengths	56.502, 56.502, 192.135
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.278 - 1.991
R-factor	0.2114
Rwork	0.204
R-free	0.27770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ie2
RMSD bond length	0.014
RMSD bond angle	1.337
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.420	2.100
High resolution limit [Å]	1.990	1.990
Rmerge	0.101	1.600
Rmeas	0.103	1.644
Rpim	0.023	0.372
Total number of observations	412841	44551
Number of reflections	20666	2353
<I/σ(I)>	20.5	2.4
Completeness [%]	86.9
Redundancy	20	18.9
CC(1/2)	1.000	0.938

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1M imidazole, pH7.0, 20% Polyrthylene glycol 6000