5LD5

Crystal structure of a bacterial dehydrogenase at 2.19 Angstroms resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-05
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	71.390, 132.110, 85.320
Unit cell angles	90.00, 104.88, 90.00

Refinement procedure

Resolution	47.714 - 2.191
R-factor	0.1797
Rwork	0.177
R-free	0.22660
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.097
Data reduction software	XDS (March 1, 2015)
Data scaling software	Aimless (0.5.26)
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.714	2.269
High resolution limit [Å]	2.191	2.191
Rmerge	0.116	0.822
Number of reflections	77410
<I/σ(I)>	9.46	2.01
Completeness [%]	99.0	90
Redundancy	6.7	6.4
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1 M sodium citrate pH 5.5, 20% PEG 3000