4FBM

LipS and LipT, two metagenome-derived lipolytic enzymes increase the diversity of known lipase and esterase families

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-02-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.87
Spacegroup name	P 42 21 2
Unit cell lengths	170.650, 170.650, 46.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.300 - 2.800
R-factor	0.22512
Rwork	0.223
R-free	0.27022
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fbl 1tqh
RMSD bond length	0.016
RMSD bond angle	1.649
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.300	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.190	0.690
Number of reflections	15483
<I/σ(I)>	7.9	2.6
Completeness [%]	93.7	95.9
Redundancy	4.6	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	292	0.1 M Tris, o.5% v/v Jeffamine ED-2001, 3.5 M NaBr, pH 8.5, VAPOR DIFFUSION, temperature 292K