5BXJ

Complex of the Fk1 domain mutant A19T of FKBP51 with 4-Nitrophenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-12
Detector	MAR CCD 165 mm
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	42.127, 53.720, 56.048
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.024 - 1.240
R-factor	0.1786
Rwork	0.177
R-free	0.20560
RMSD bond length	0.010
RMSD bond angle	1.303
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.240
Number of reflections	36610
<I/σ(I)>	23.8
Completeness [%]	99.2
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	30% PEG 3350, 0.2 M Ammonium Acetate and 0.1 M HEPES pH 7.5