3O5O

Fk1 domain mutant A19T of FKBP51, crystal form III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-18
Detector	MARRESEARCH
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	35.687, 48.256, 62.944
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.150
R-factor	0.1242
Rwork	0.122
R-free	0.16100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o5p
RMSD bond length	0.013
RMSD bond angle	0.029
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	MOLREP
Refinement software	SHELX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.296	26.112	1.210
High resolution limit [Å]	1.150	3.640	1.150
Rmerge	0.047	0.028	0.325
Total number of observations		13250	17110
Number of reflections	38609
<I/σ(I)>	17.7	20	2.3
Completeness [%]	98.3	99	95.1
Redundancy	4.9	9.7	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	33 % PEG3350, 0.05 M KSCN, 0.1 M BisTrisHCl, pH 6.5, vapor diffusion, temperature 293K