5IDQ

Crystal structure of a Short-chain dehydrogenase/reductase (SDR)from Burkholderia vietnamiensis at 1.55 A resolution

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	2016-02-03
Detector	RAYONIX MX-225
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	61.370, 49.270, 66.820
Unit cell angles	90.00, 94.71, 90.00

Refinement procedure

Resolution	47.010 - 1.550
R-factor	0.1742
Rwork	0.173
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sny
RMSD bond length	0.011
RMSD bond angle	1.170
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_2289)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.010	47.010	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.071	0.037	0.529
Number of reflections	57605
<I/σ(I)>	13.09	28.82	2.97
Completeness [%]	99.4	94.3	99.2
Redundancy	4.53
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	MCSG1 condition D10: 40% PEG 3350,0.2 M Calcium Acentate, 0.1 M Sodium Cacodylate pH 6.5, BuviA.00010.rB1 at 20.9 mg/ml, 1:1 drop to protein ratio. Direct cryo, plate 269027d10, puck ktx5 position 9