4LT5

Structure of a Naegleria Tet-like dioxygenase in complex with 5-methylcytosine DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-16
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	I 21 21 21
Unit cell lengths	83.954, 108.648, 166.384
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.547 - 2.893
R-factor	0.1944
Rwork	0.193
R-free	0.21540
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.675
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SGXPRO
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.990
High resolution limit [Å]	2.890	2.890
Rmerge	0.077	0.783
Number of reflections	17328
<I/σ(I)>	22.8	2.1
Completeness [%]	99.9	99.5
Redundancy	6.4	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	2 M ammonium sulfate, 0.1 M BisTris-HCl, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K
2	VAPOR DIFFUSION, SITTING DROP	8	289	20% (w/v) polyethylene glycol 3350, and 0.2 M sodium citrate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K