2RB8

High resolution design of a protein loop

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	2006-11-09
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1
Spacegroup name	P 32 2 1
Unit cell lengths	62.781, 62.781, 53.793
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.450
R-factor	0.1702
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ten
RMSD bond length	0.005
RMSD bond angle	1.379
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.500
High resolution limit [Å]	1.450	1.450
Rmerge	0.065	0.195
Number of reflections	19928
<I/σ(I)>	14.5	3
Completeness [%]	90.0	33.9
Redundancy	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	3.8M sodium formate, 5% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K