3JUR

The crystal structure of a hyperthermoactive Exopolygalacturonase from Thermotoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-09-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	63.274, 155.904, 200.652
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.430 - 2.050
R-factor	0.1773
Rwork	0.175
R-free	0.21956
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2uve 1czf 1nhc
RMSD bond length	0.008
RMSD bond angle	1.145
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	123.110	2.102
High resolution limit [Å]	2.049	2.049
Rmerge	0.098	0.523
Number of reflections	114618
<I/σ(I)>	8.2	1.8
Completeness [%]	91.6	63.6
Redundancy	3.7	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	10-17% PEG4000, 0.1M BES-NaOH, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K