6FZI

Crystal Structure of a Clostridial Dehydrogenase at 2.55 Angstroems 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	2014-10-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	73.280, 101.610, 92.820
Unit cell angles	90.00, 107.07, 90.00

Refinement procedure

Resolution	54.783 - 2.550
R-factor	0.1662
Rwork	0.164
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fzh
RMSD bond length	0.009
RMSD bond angle	1.167
Data reduction software	XDS (January 10, 2014)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.670	2.641
High resolution limit [Å]	2.550	2.550
Rmerge	0.072	0.988
Rmeas	0.083	1.126
Rpim	0.039	0.529
Number of reflections	42341	4184
<I/σ(I)>	12.66	1.24
Completeness [%]	99.6	99.71
Redundancy	4.2	4.3
CC(1/2)	0.998	0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	0.2 M sodium acetate, 20% w/v PEG 3350