4X0E

Structure of M. tuberculosis nicotinate mono nucleotide adenylyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 31 2 1
Unit cell lengths	67.650, 67.650, 187.366
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.460 - 2.410
R-factor	0.22324
Rwork	0.221
R-free	0.25744
RMSD bond length	0.005
RMSD bond angle	1.088
Data reduction software	PROCESS
Data scaling software	PROCESS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall
Low resolution limit [Å]	93.680
High resolution limit [Å]	2.410
Number of reflections	19922
<I/σ(I)>	14.3
Completeness [%]	99.8
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.2-1.5M magnesium sulfate, 0.1M MES buffer