5MVL

Crystal structure of an A-DNA dodecamer containing 5-bromouracil

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.920, 1.240
Spacegroup name	P 32 2 1
Unit cell lengths	43.517, 43.517, 60.850
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.673 - 1.405
R-factor	0.1584
Rwork	0.157
R-free	0.18230
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.067
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXD
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	23.673
High resolution limit [Å]	1.405
Number of reflections	13446
<I/σ(I)>	23.4
Completeness [%]	99.9
Redundancy	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	Sodium chloride (80 mM) Potassium chloride (12 mM) Magnesium chloride (20 mM) Spermine tetrahydrochloride (12 mM) Sodium cacodylate (40 mM, pH 6.0) MPD (40 % v/v)