8DW8

Host-guest structure of BLMA2 partially bound to 5'-ATTAGTTATAACTAAT-3'

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97948
Spacegroup name	P 21 21 2
Unit cell lengths	55.675, 145.846, 46.822
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.400 - 2.580
R-factor	0.2239
Rwork	0.221
R-free	0.27550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ztw
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.690
High resolution limit [Å]	2.580	5.600	2.600
Rmerge	0.101	0.048	0.627
Number of reflections	11646	1202	1154
<I/σ(I)>	10
Completeness [%]	95.2	89.2	97.3
Redundancy	4.4	3.8	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Crystals of the host-guest complex were obtained in 5 mM magnesium acetate, 50 mM ADA, pH 6.5, 9% PEG4000. To obtain complexes with BLM, crystals were soaked in well solutions containing 0.1 mM BLM followed by stabilization in 9% PEG4000, 5 mM magnesium acetate, 100 mM HEPES pH 8.0, 20% ethylene glycol, 0.25 mM BLM until unit cell changes correlating with binding of BLM were detected.