2HMS

Rectangular-shaped octameric ring structure of an RCK domain with NADH bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1.100
Spacegroup name	P 31 1 2
Unit cell lengths	164.881, 164.881, 57.240
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.700
R-factor	0.212
Rwork	0.214
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	single domain from PDB entry 1LSU
RMSD bond length	0.007
RMSD bond angle	1.234
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.097	0.961
Number of reflections	24578
<I/σ(I)>	11.4
Completeness [%]	99.9	100
Redundancy	10.8	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	293	100mM sodium acetate pH 5.2, 2M sodium formate, VAPOR DIFFUSION, SITTING DROP, temperature 293K