3DPI

Crystal Structure of NAD+ synthetase from Burkholderia Pseudomallei

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Collection date	2008-05-27
Wavelength(s)	0.97607
Spacegroup name	P 41 21 2
Unit cell lengths	76.315, 76.315, 183.772
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.228
Rwork	0.226
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pz8
RMSD bond length	0.010
RMSD bond angle	1.321
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.086	0.447
Number of reflections	28418
<I/σ(I)>	15.2	6.1
Completeness [%]	99.9	100
Redundancy	12.6	13

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	25% PEG 3350, 0.2 M NaCl, 0.1 M BisTris pH 5.5, Hampton Index screen well F10, Crystal ID 109415F10, VAPOR DIFFUSION, SITTING DROP, temperature 289K