2G0Y

Crystal Structure of a Lumenal Pentapeptide Repeat Protein from Cyanothece sp 51142 at 2.3 Angstrom Resolution. Tetragonal Crystal Form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-03
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	I 41 2 2
Unit cell lengths	86.614, 86.614, 89.745
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	500.000 - 2.300
R-factor	0.2329
Rwork	0.233
R-free	0.26550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f3l
RMSD bond length	0.006
RMSD bond angle	1.064
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000
High resolution limit [Å]	2.300	2.300
Rmerge	0.079	0.205
Number of reflections	7560
<I/σ(I)>	25.56	3.36
Completeness [%]	95.9	89.4
Redundancy	6.1	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	15% PEG 4000, 0.1 M magnesium chloride, 5% glycerol, .06 M Tris HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K