5E0N

Crystal Structure of MSMEG_3139, a monofunctional enoyl CoA isomerase from M.smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-09-15
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	H 3 2
Unit cell lengths	102.601, 102.601, 145.951
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.710 - 2.061
R-factor	0.1801
Rwork	0.178
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uiy
RMSD bond length	0.008
RMSD bond angle	1.114
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.060
Number of reflections	18309
<I/σ(I)>	23.8
Completeness [%]	99.1
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	10%(w/v) PEG 6000, 0.1M glycine buffer (pH 9.0), 3%(v/v) Glycerol