3ERP

Structure of IDP01002, a putative oxidoreductase from and essential gene of Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-02
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	I 4
Unit cell lengths	127.096, 127.096, 120.492
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.960 - 1.550
R-factor	0.15465
Rwork	0.153
R-free	0.17771
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB code 1ZSX was used for MR on a crystal diffracting to 2.15 A on our RAXIS4 home source. The protein atoms from the model refined from that crystal were used for rigid body refinement with the new data diffracting to 1.55 A.
RMSD bond length	0.014
RMSD bond angle	1.517
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0051)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.060	0.477
Number of reflections	132754
<I/σ(I)>	23.08	2.62
Completeness [%]	97.2	80.3
Redundancy	5.2	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	295	crystallized in 0.2 M Calcium Acetate, 9% PEG8000 and 0.1 M Sodium Cacodylate. Cryoprotected with 25% ethylene glycol., pH 6.5, EVAPORATION, temperature 295K