6FZH

Crystal structure of a streptococcal dehydrogenase at 1.5 Angstroem resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.87260
Spacegroup name	P 21 21 2
Unit cell lengths	79.266, 91.603, 106.265
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.130 - 1.500
R-factor	0.1487
Rwork	0.148
R-free	0.16280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lvf
RMSD bond length	0.006
RMSD bond angle	1.032
Data reduction software	XDS (March 15, 2012)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.130	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.060	0.493
Rmeas	0.071	0.642
Number of reflections	122574	10880
<I/σ(I)>	15.81	1.66
Completeness [%]	98.5	88.69
Redundancy	3.5	2.1
CC(1/2)	0.997	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	0.2 M potassium nitrate, 22% w/v PEG 3350