5U9C

1.9 Angstrom Resolution Crystal Structure of dTDP-4-dehydrorhamnose Reductase from Yersinia enterocolitica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	I 2 2 2
Unit cell lengths	132.445, 184.871, 187.017
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.940 - 1.900
R-factor	0.16146
Rwork	0.160
R-free	0.19066
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.474
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.070	0.649
Number of reflections	179762
<I/σ(I)>	28.8	2.7
Completeness [%]	99.6	96.3
Redundancy	7.5	6.8
CC(1/2)		0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	Protein: 7.2 mg/ml, 0.25M Sodium chloride, 0.01M Tris HCl (pH 8.3); Screen: Classics II (C5), 0.96M Sodium citrate (pH 7.0); Cryo: Screen : 50% Sucrose (1:1)