4GKB

Crystal structure of a short chain dehydrogenase homolog (target efi-505321) from burkholderia multivorans, unliganded structure

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	2012-07-09
Detector	RAYONIX MX-225
Wavelength(s)	0.9793
Spacegroup name	P 61
Unit cell lengths	99.960, 99.960, 205.801
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.873 - 1.500
R-factor	0.1524
Rwork	0.151
R-free	0.17190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yde
RMSD bond length	0.007
RMSD bond angle	1.087
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHENIX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.567	22.873	1.580
High resolution limit [Å]	1.500	4.740	1.500
Rmerge	0.110	0.043	0.836
Total number of observations		66986	250791
Number of reflections	185302
<I/σ(I)>	10.8	13.7	0.9
Completeness [%]	100.0	99.1	100
Redundancy	8.9	11.4	9.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	sitting drop vapor diffusion	7.5	298	Protein (50 mM Hepes pH 7.5; Reservoir (0.2 M Calcium Acetate 0.1 M HEPES:NaOH pH 7.5 10% (w/v) PEG 8000); Cryoprotection (Reservoir, + 20% Ethylene glycol), sitting drop vapor diffusion, temperature 298K