5TNX

Crystal structure of Alcohol dehydrogenase zinc-binding domain protein from Burkholderia ambifaria

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	2016-10-06
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	I 2 2 2
Unit cell lengths	79.060, 92.650, 120.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.548 - 1.700
R-factor	0.1493
Rwork	0.148
R-free	0.17150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f8f chain A
RMSD bond length	0.009
RMSD bond angle	0.973
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.056	0.039	0.477
Number of reflections	47698
<I/σ(I)>	19.07	41.4	4.02
Completeness [%]	97.5	85.9	97.8
Redundancy	6.3
CC(1/2)	0.999	0.998	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	RigakuReagents JCSG+ screen, A3: 20% PEG 3350, 200mM Ammonium citrate dibasic; BuamA.10611.c.B1.PS37979 at 19.1mg/ml + 2.5mM NADP (not visible in structure); cryo: 20% EG; tray 283195a3, puck kgc9-6