1W5R

X-ray crystallographic structure of a C70Q Mycobacterium smegmatis N- arylamine Acetyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 41 21 2
Unit cell lengths	98.884, 98.884, 130.815
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.060 - 1.450
R-factor	0.197
Rwork	0.196
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.225
Refinement software	REFMAC (5.2.0005 24/04/2001)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.010	1.530
High resolution limit [Å]	1.300	1.450
Rmerge	0.060	0.410
Number of reflections	103538
<I/σ(I)>	6.79	1.77
Completeness [%]	90.5	84.7
Redundancy	3.19	2.72

Crystallization Conditions

crystal ID	method	pH	temperature	details
1