3VAX

Crystal structure of DndA from streptomyces lividans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-20
Wavelength(s)	1.000
Spacegroup name	P 1 2 1
Unit cell lengths	77.900, 67.280, 85.560
Unit cell angles	90.00, 97.04, 90.00

Refinement procedure

Resolution	45.000 - 2.400
R-factor	0.194
Rwork	0.192
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.119
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	84.915	42.457	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.082	0.410
Rmeas		0.089	0.441
Rpim		0.034	0.162
Total number of observations		8194	37031
Number of reflections	34563
<I/σ(I)>	10.2	18.2	4.8
Completeness [%]	99.8	99.2	100
Redundancy	7.3	7.1	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	287	20% PEG3350, 0.2M ammonium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K