2WPU

Chaperoned ruthenium metallodrugs that recognize telomeric DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-06
Detector	MARRESEARCH
Spacegroup name	I 41 2 2
Unit cell lengths	57.680, 57.680, 183.694
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.920
R-factor	0.1735
Rwork	0.172
R-free	0.19818
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qcb
RMSD bond length	0.020
RMSD bond angle	1.250
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0097)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.840	2.110
High resolution limit [Å]	1.910	2.000
Rmerge	0.080	0.280
Number of reflections	12284
<I/σ(I)>	6.93	2.49
Completeness [%]	97.9	86.3
Redundancy	10.13	3.43

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	298	PROTEIN, 26 MG/ML IN WATER. RESERVOIR, 2.0 M AMMONIUM SULFATE, 0.1 M SODIUM ACETATE BUFFER, PH 4.0 , VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K. LIGAND SOAKING CONDITIONS: LIGAND, 10 MM K2OSO2(OH)4 IN 3.0 M AMMONIUM SULFATE, 0.1 SODIUM ACETATE BUFFER, PH 4.0, CRYO, 1.5 M AMMONIUM SULFATE, 0.1 SODIUM ACETATE BUFFER, PH 4.0