4Q16

Structure of NAD+ Synthetase from Deinococcus radiodurans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-19
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	113.230, 114.150, 121.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.381 - 2.600
R-factor	0.2418
Rwork	0.239
R-free	0.29280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.539
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.600
Rmerge	0.096
Number of reflections	49185
<I/σ(I)>	14.6
Completeness [%]	100.0
Redundancy	8.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6		20% Poly ethylene glycol (PEG) 4000, 0.2M lithium sulfate, 0.1M MES pH 6.0, VAPOR DIFFUSION, SITTING DROP