1QLW

The Atomic Resolution Structure of a Novel Bacterial Esterase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-11-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	134.730, 55.600, 110.200
Unit cell angles	90.00, 125.06, 90.00

Refinement procedure

Resolution	30.000 - 1.090
R-factor	0.1429 *
Rwork	0.143
R-free	0.15800
Structure solution method	MIR
RMSD bond length	0.009
RMSD bond angle	0.027
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	1.120
High resolution limit [Å]	1.090	1.090
Rmerge	0.094	0.360
Number of reflections	274290
<I/σ(I)>	14.5	2.3
Completeness [%]	99.4	98.2
Redundancy	3.8	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7		Bourne, P.C., (1999) Acta Crystallogr.,Sect.D, 55, 915. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	drop	ammonium sulfate		saturated
4	1	reservoir	ammonium sulfate	1.5-1.6 (M)