5UNB

Crystal structure of putative Putative deoxyribonuclease-2 from Burkholderia thailandensis in complex with copper

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-30
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	51.550, 61.070, 104.470
Unit cell angles	90.00, 90.29, 90.00

Refinement procedure

Resolution	26.000 - 1.750
R-factor	0.1493
Rwork	0.148
R-free	0.18050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	native structure 5i3e
RMSD bond length	0.006
RMSD bond angle	0.882
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((dev_2650: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.361	50.000	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.051	0.044	0.322
Rmeas	0.056	0.049	0.372
Number of reflections	65444	767	4675
<I/σ(I)>	20.97	40.7	3.95
Completeness [%]	99.7	96.4	96.7
Redundancy	5.411	4.764	3.955
CC(1/2)	0.999	0.997	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.25	290	JCSG+ H3 optimization screen, condition H3: 22.75% PEG 3350, 100mM BisTris pH 6.25: ButhA.18065.a.B1 at 26.5mg/ml: over night soak with 5mM CuSO4: cryo: 20% EG and 5mM CuSO4: tray 249901h3, puck dgx5-1.