3O5G

Fk1 domain of FKBP51, crystal form I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.886
Spacegroup name	P 32 2 1
Unit cell lengths	46.993, 46.993, 89.767
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.1942
Rwork	0.191
R-free	0.26570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o5p
RMSD bond length	0.011
RMSD bond angle	1.384
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.697	89.803	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.091	0.030	0.667
Total number of observations		1765	8084
Number of reflections	8222
<I/σ(I)>	17.4	16.9	1.1
Completeness [%]	99.9	98.4	100
Redundancy	6.6	5.7	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	35% PEG3350, 0.1 M HEPES, pH 7.5, vapor diffusion, temperature 293K