4PFZ

X-ray Crystal Structure of 5-carboxymethyl-2-hydroxymuconate delta-isomerase from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	C 1 2 1
Unit cell lengths	137.000, 53.740, 69.750
Unit cell angles	90.00, 107.76, 90.00

Refinement procedure

Resolution	40.740 - 1.800
R-factor	0.196
Rwork	0.195
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rr6
Refinement software	PHENIX ((PHENIX.REFINE: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.065	0.440
Number of reflections	44763
<I/σ(I)>	14.73	4.2
Completeness [%]	99.4	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	25% PEG 1500, 100mM SPG pH 6.0 SPG: succinic acid, NaH2PO4 H20, glycine, pH adjusted with 10M NaOH