1D7J

FKBP COMPLEXED WITH 4-HYDROXY-2-BUTANONE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	297
Detector technology	AREA DETECTOR
Collection date	1995-01-01
Detector	ENRAF-NONIUS
Spacegroup name	C 1 2 1
Unit cell lengths	102.800, 36.450, 56.000
Unit cell angles	90.00, 96.00, 90.00

Refinement procedure

Resolution	20.000 - 1.850
R-factor	0.191
Rwork	0.191
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	26.850 *
Data reduction software	MADNESS
Data scaling software	CCP4 ((AGROVATA)
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall
Low resolution limit [Å]	100.000
High resolution limit [Å]	1.850
Rmerge	0.050
Number of reflections	15552
Completeness [%]	91.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	297	CRYSTALLIZATION CONDITIONS: 56 % SAT. AMMONIUM SULFATE 5 % 4-HYDROXY-2- BUTANONE 100 MM TRIS (PH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 297K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.6 (mM)
2	1	drop	DMSO	340 (mM)
3	1	drop	Tris-HCl	50 (mM)
4	1	drop	ammonium sulfate	28 (%(w/v))
5	1	reservoir	ammonium sulfate
6	1	reservoir	DMSO
7	1	reservoir	Tris-HCl	1 (M)