3FZI

1.9 Angstrom structure of the thermophilic exonuclease III homologue Mth0212

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-28
Detector	MAR CCD 165 mm
Wavelength(s)	0.80150
Spacegroup name	P 65
Unit cell lengths	56.040, 56.040, 161.320
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.510 - 1.900
R-factor	0.20081
Rwork	0.198
R-free	0.26161
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1de9
RMSD bond length	0.015
RMSD bond angle	1.563
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.058	0.023	0.558
Number of reflections	22592
<I/σ(I)>	36.32
Completeness [%]	99.8	98.7	100
Redundancy	7.5	7.4	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	reservoir: 20 % PEG 1500, 100mM HEPES pH 7.5; protein solution: 600mM NaCl, 20mM HEPES-KOH pH 7.6, 2mM DTT, vapor diffusion, sitting drop, temperature 293K