3RYK

1.63 Angstrom resolution crystal structure of dTDP-4-dehydrorhamnose 3,5-epimerase (rfbC) from Bacillus anthracis str. Ames with TDP and PPi bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97919
Spacegroup name	P 3
Unit cell lengths	86.652, 86.652, 45.101
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.850 - 1.631
R-factor	0.12476
Rwork	0.123
R-free	0.16006
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dzr
RMSD bond length	0.010
RMSD bond angle	1.852
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.660
High resolution limit [Å]	1.630	1.630
Rmerge	0.052	0.488
Number of reflections	47039
<I/σ(I)>	26.53	2.87
Completeness [%]	99.9	98.5
Redundancy	4.8	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	295	Protein: 7.5 mg/mL in 10 mM Tris/HCl pH 8.3, 0.5 M NaCl, 5 mM BME. Crystallization condition: The JCSG+ suite (condition A3(#3): 0.2 M di-Ammonium citrate pH 5.0, 20 % w/v PEG3350). Crystallized at 1:1 v/v ratio. Cryo: soak in The JCSG+ A3. , VAPOR DIFFUSION, SITTING DROP, temperature 295K