5LOD

Crystal structure of HhaI DNA methyltransferase in APO form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	OTHER
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9801
Spacegroup name	P 1 21 1
Unit cell lengths	53.000, 70.000, 87.800
Unit cell angles	90.00, 101.30, 90.00

Refinement procedure

Resolution	41.728 - 1.900
R-factor	0.1804
Rwork	0.178
R-free	0.21940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hmy
RMSD bond length	0.007
RMSD bond angle	1.077
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.730	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.058	0.429
Number of reflections	49539
<I/σ(I)>	12.42	2.77
Completeness [%]	99.6	99.74
Redundancy	3.68	3.57
CC(1/2)	0.980	0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	AMMONIUM SULFATE 50 mM, CITRATE 100mM, 32% (w/v) PEG-4000