7QNF

CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NAD+, AND ETHYLENE GLYCOL

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-06
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	61.838, 85.765, 136.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.707 - 2.140
Rwork	0.179
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rrm
RMSD bond length	0.006
RMSD bond angle	1.385
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.710	2.200
High resolution limit [Å]	2.140	2.140
Rpim	0.070	0.976
Number of reflections	40916	3299
<I/σ(I)>	8.4	1.2
Completeness [%]	100.0
Redundancy	13.3	13.8
CC(1/2)	0.997	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295.15	0.1 M Bis-tris pH 8.5, 20 % (w/v) PEG 6000, 0.2 M NaF