6KV3

Crystal Structure of NAD+ Synthetase from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-11-09
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5
Spacegroup name	P 1 21 1
Unit cell lengths	50.979, 107.714, 93.986
Unit cell angles	90.00, 96.72, 90.00

Refinement procedure

Resolution	46.671 - 2.300
R-factor	0.2135
Rwork	0.211
R-free	0.26740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nsy
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.540	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.055	0.092
Rmeas	0.065	0.106
Rpim	0.033	0.052
Number of reflections	44717	4382
<I/σ(I)>	20	12.3
Completeness [%]	99.7	100
Redundancy	4.1	4.1
CC(1/2)	0.992	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	293	200 mM Calcium chloride, 100mM Tris-HCl pH7.5, 22% PEG 4000,