3SYT

Crystal structure of glutamine-dependent NAD+ synthetase from M. tuberculosis bound to AMP/PPi, NAD+, and glutamate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-24
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 41 21 2
Unit cell lengths	177.755, 177.755, 213.059
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.300 - 2.651
R-factor	0.1571
Rwork	0.155
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dla
RMSD bond length	0.015
RMSD bond angle	1.561
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (phenix)
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.740
High resolution limit [Å]	2.650	2.650
Number of reflections	97718
<I/σ(I)>	20.4	4.1
Completeness [%]	98.6	95.8
Redundancy	8.2	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	288	1.2 M ammonium citrate tribasic dihydrate, 5 % glycerol , pH 8.0, EVAPORATION, temperature 288K