3O5K

Fk1 domain of FKBP51, crystal form VIII

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 1 21 1
Unit cell lengths	69.802, 48.430, 76.317
Unit cell angles	90.00, 114.50, 90.00

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.2267
Rwork	0.224
R-free	0.28260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o5i chain A
RMSD bond length	0.010
RMSD bond angle	1.223
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]	69.505	69.505	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge	0.088	0.027	0.392
Total number of observations		1542	6776
Number of reflections	12932
<I/σ(I)>	11.6	22.4	1.9
Completeness [%]	99.3	99.9	99.7
Redundancy	3.5	3.4	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	32 % PEG3350, 0.05 M NH4OAc, 0.1 M HEPES, pH 7.5, vapor diffusion, temperature 293K