4GVX

Crystal structure of a short chain dehydrogenase homolog (target EFI-505321) from burkholderia multivorans, with bound NADP and L-fucose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-13
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	68.437, 118.522, 118.283
Unit cell angles	90.00, 92.92, 90.00

Refinement procedure

Resolution	28.740 - 1.499
R-factor	0.1533
Rwork	0.152
R-free	0.17920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4glo
RMSD bond length	0.006
RMSD bond angle	1.166
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.103	0.031	0.494
Number of reflections	145388
<I/σ(I)>	7.7
Completeness [%]	96.7	88.5	98.7
Redundancy	2.8	2.9	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein (50 mM Hepes pH 7.5, 5 mM NADP + 25 mM L-Fucose; Reservoir (0.2 M MgCl2, 0.1 M Tris pH 8.5, 20% Peg8000); Cryoprotection (Reservoir + 20% Ethylene glycol + 5 mM NADP + 25 mM L-FUCOSE), VAPOR DIFFUSION, SITTING DROP, temperature 298K