3O5J

Fk1 domain of FKBP51, crystal form III

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)	0.920
Spacegroup name	P 21 21 21
Unit cell lengths	35.293, 48.804, 64.299
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.700
R-factor	0.2021
Rwork	0.201
R-free	0.23060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o5p
RMSD bond length	0.012
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]	64.299	64.299	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge	0.064	0.044	0.361
Total number of observations		2638	12509
Number of reflections	12769
<I/σ(I)>	21.4	11	2
Completeness [%]	99.8	94.7	100
Redundancy	6.6	5.9	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	29 % PEG3350, 0.1 M HEPES, pH 7.5, vapor diffusion, temperature 293K