1U0R

Crystal structure of Mycobacterium tuberculosis NAD kinase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9793,0.9795,0.9392
Spacegroup name	P 43 21 2
Unit cell lengths	118.510, 118.510, 222.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.224
Rwork	0.223
R-free	0.28600
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.889
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXS
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.800
Number of reflections	38743
Completeness [%]	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6	298	lithium sulfate, ammonium sulfate, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.60