1GX3

M. smegmatis arylamine N-acetyl transferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-19
Detector	QUANTUM ADSC
Spacegroup name	P 21 21 21
Unit cell lengths	101.250, 105.828, 141.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.700
R-factor	0.209 *
Rwork	0.209
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e2t
RMSD bond length	0.022 *
RMSD bond angle	1.967 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.074 *	0.568 *
Total number of observations	624263 *
Number of reflections	163227	14137 *
<I/σ(I)>	3.2	1.3
Completeness [%]	98.1 *	87.4
Redundancy	3.8	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8 *	19 *	0.2 M NH4 ACETATE, 0.1M TRIS-HCL PH 8.5, 30%V/V ISOPROPANOL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	drop	EDTA	1 (mM)
4	1	drop	dithiothreitol	2 (mM)	pH8.0