7QNI

CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT L259V

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-28
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9762
Spacegroup name	C 2 2 21
Unit cell lengths	55.412, 108.360, 123.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.239 - 1.730
Rwork	0.183
R-free	0.21330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rrm
RMSD bond length	0.005
RMSD bond angle	1.281
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.240	1.760
High resolution limit [Å]	1.730	1.730
Rpim	0.021	0.494
Number of reflections	39368	2151
<I/σ(I)>	18	1.5
Completeness [%]	100.0	100
Redundancy	13.23	13.4
CC(1/2)	0.999	0.759

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	295.15	0.1M Sodium citrate, pH 5.6; 20% w/v PEG 4000