4NJ4

Crystal Structure of Human ALKBH5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-10-29
Detector	PSI PILATUS 6M
Wavelength(s)	0.97889
Spacegroup name	P 2 21 21
Unit cell lengths	67.100, 82.660, 89.171
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.990 - 2.020
Rwork	0.165
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Ensemble of PDB entries 4IE5 3s57 2iuw and 3THT
RMSD bond length	0.010
RMSD bond angle	1.190
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	2.020	4.350	2.020
Rmerge	0.142	0.090
Number of reflections	33274
<I/σ(I)>	5.9	16.5	2
Completeness [%]	100.0	99.9	100
Redundancy	6	6	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	15% PEG 3350, 0.125 M potassium nitrate, 0.5 mM manganese (II) chloride, 2 mM UN9, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K