5I3E

Crystal structure of putative Putative deoxyribonuclease-2 from Burkholderia thailandensis, E264

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.999995
Spacegroup name	P 1 21 1
Unit cell lengths	51.160, 61.750, 102.600
Unit cell angles	90.00, 92.12, 90.00

Refinement procedure

Resolution	39.443 - 1.650
R-factor	0.1557
Rwork	0.154
R-free	0.18660
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	0.886
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.690
High resolution limit [Å]	1.650	7.380	1.650
Rmerge	0.052	0.014	0.523
Number of reflections	76021
<I/σ(I)>	16.74	53.41	2.12
Completeness [%]	98.7	93.4	99.5
Redundancy	2.5		2.5
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	MCSG1 screen, b12: 100mM BisTris pH 6.5, 28% PEG MME 2000, trays set up at 26.5mg/ml, cryo: 15% EG; for phasing a crystal from 25% PEG 3350, 100mM BisTris pH 6.0 was incubated for 30s in a buffer containing 15% EG and 750mM NaI, iodide data were collected at the in-house source; ButhA.18065.a.B1.PS18111 at 26.5 mg/ml
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	MCSG1 screen, b12: 100mM BisTris pH 6.5, 28% PEG MME 2000, trays set up at 26.5mg/ml, cryo: 15% EG; for phasing a crystal from 25% PEG 3350, 100mM BisTris pH 6.0 was incubated for 30s in a buffer containing 15% EG and 750mM NaI, iodide data were collected at the in-house source; ButhA.18065.a.B1.PS18111 at 26.5 mg/ml