3O5M

Fk1 domain mutant A19T of FKBP51, crystal form II

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 31 2 1
Unit cell lengths	48.774, 48.774, 179.986
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.2021
Rwork	0.200
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o5p
RMSD bond length	0.013
RMSD bond angle	1.468
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	59.995	44.996	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge	0.076	0.047	0.395
Total number of observations		7788	21556
Number of reflections	32766
<I/σ(I)>	13.2	10.3	1.9
Completeness [%]	96.7	99.4	96.1
Redundancy	4.7	6.3	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	32 % PEG3350, 0.05 M NH4OAc, 0.1 M BisTrisHCl, pH 6.5, vapor diffusion, temperature 293K