6EB3

Structural and enzymatic characterization of an esterase from a metagenomic library

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-03-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	71.650, 105.950, 145.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.870 - 2.350
R-factor	0.1949
Rwork	0.193
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xua
RMSD bond length	0.011
RMSD bond angle	1.549
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.100
Rpim	0.040	0.400
Number of reflections	50655
<I/σ(I)>	13.4	2.2
Completeness [%]	99.9	100
Redundancy	5.7	5.9
CC(1/2)	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1 Bis-Tris, pH 6.5, 0.1 M NaCl, 1.3 M (NH4)2SO4