4C5P

The structure of mycobacterium marinum arylamine n-acetyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Spacegroup name	P 41 21 2
Unit cell lengths	51.750, 51.750, 176.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.820 - 1.592
R-factor	0.1564
Rwork	0.154
R-free	0.19350
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.283
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall
Low resolution limit [Å]	38.800
High resolution limit [Å]	1.590
Rmerge	0.100
Number of reflections	33245
<I/σ(I)>	11.7
Completeness [%]	100.0
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.2 M NA2SO4, 0.1 M BIS-TRIS PROPANE PH 6.5 AND 20 % W/V PEG-3350