4IHT

Crystal Structure of BenM_DBD/benA site 1 DNA Complex

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	2009-04-10
Detector	MAR CCD 165 mm
Wavelength(s)	0.97934
Spacegroup name	P 21 21 2
Unit cell lengths	58.956, 300.295, 46.003
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.660 - 3.000
R-factor	0.1877
Rwork	0.184
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m1e
RMSD bond length	0.006
RMSD bond angle	1.143
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.065	0.039	0.503
Number of reflections	17712
<I/σ(I)>	21.1
Completeness [%]	92.7	78.6	92.9
Redundancy	3.7	3.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH UNDER OIL	6.5	288	Equal volumes of precipitant, protein solution and DNA. Precipitant: Optimized index screen 79- 25 mM bis-tris, 25% PEG 3000, 50 mM ammonium acetate. Protein: 20 mM Tris base (pH 8.0), 0.5 M NaCl, 10% glycerol, 150 mM imidazole, 10 mM BME, MICROBATCH UNDER OIL, temperature 288K