2Q0Q

Structure of the Native M. Smegmatis Aryl Esterase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-08-30
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9795, 0.9796, 1.000
Spacegroup name	P 4
Unit cell lengths	98.163, 98.163, 229.896
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.500
R-factor	0.17572
Rwork	0.175
R-free	0.19612
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.525
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.500	1.500
Rmerge	0.087
Number of reflections	327138
<I/σ(I)>	14.9
Completeness [%]	94.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	100mM TRIS.HCl (pH 8), 2M Ammonium Sulphate, 2% PEG 400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K