2RFM

Structure of a Thermophilic Ankyrin Repeat Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	180
Detector technology	CCD
Collection date	2006-07-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9238
Spacegroup name	P 64 2 2
Unit cell lengths	101.002, 101.002, 174.483
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.650
R-factor	0.157
Rwork	0.156
R-free	0.17800
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.373
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.472	61.660	1.740
High resolution limit [Å]	1.650	5.220	1.650
Rmerge	0.055	0.027	0.323
Total number of observations		22182	37424
Number of reflections	58965
<I/σ(I)>	7.2	19.9	2.4
Completeness [%]	93.0	99.5	66.9
Redundancy	9.9	9.8	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	286	20% Glycerol, 2M Ammoniumsulfate, 1% 1,3-butanediole, 20mM HEPES, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 286K
1	VAPOR DIFFUSION, HANGING DROP	7.4	286	20% Glycerol, 2M Ammoniumsulfate, 1% 1,3-butanediole, 20mM HEPES, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 286K