4NOE

Crystal structure of DdrB bound to 30b ssDNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	P 42 21 2
Unit cell lengths	131.760, 131.760, 102.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.880 - 2.200
R-factor	0.1918
Rwork	0.190
R-free	0.23230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hqb
RMSD bond length	0.011
RMSD bond angle	1.247
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX ((AutoMR))
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.790	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.116	0.813
Number of reflections	46259
<I/σ(I)>	15	2.9
Completeness [%]	100.0	99.9
Redundancy	11.8	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	6% PEG2000, 0.1 M HEPES, pH 6.5, 0.05 M calcium chloride, 1 mM reduced L-glutathione, 1 mM oxidized L-glutathione, VAPOR DIFFUSION, HANGING DROP, temperature 293K