1N1A

Crystal Structure of the N-terminal domain of human FKBP52

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-01-01
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	27.805, 58.362, 70.904
Unit cell angles	90.00, 98.31, 90.00

Refinement procedure

Resolution	40.000 - 2.400
R-factor	0.219
Rwork	0.204
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fkj
RMSD bond length	0.018 *
RMSD bond angle	2.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.095	0.294
Total number of observations	26262 *
Number of reflections	8929 *	889 *
<I/σ(I)>	17.3	9.3
Completeness [%]	99.9	99.9
Redundancy	10.8	8.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	Tris-HCl, Ammonium Sulfate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium cacodylate	10 (mM)
2	1	drop	protein	20-30 (mg/ml)
3	1	reservoir	ammonium sulfate	2.0 (M)
4	1	reservoir	Tris-HCl	0.1 (M)	pH8.5