1KXO

ENGINEERED LIPOCALIN DIGA16 : APO-FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2001-11-06
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	73.873, 63.476, 38.191
Unit cell angles	90.00, 92.02, 90.00

Refinement procedure

Resolution	48.220 - 1.800
R-factor	0.21229
Rwork	0.209
R-free	0.28900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	The structure of diga16 in presence of digoxigenin
RMSD bond length	0.018
RMSD bond angle	2.680 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000 *	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.040 *	0.200 *
Total number of observations	72064 *
Number of reflections	14754
<I/σ(I)>	14.2	2.3
Completeness [%]	89.1	77.2
Redundancy	2.3	1.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	298	0.1-M Hepes, 10% Isopropanole, 19% PEG 4000, pH = 7.8, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	HEPES-NaOH	10 (mM(w/v))	pH7.6-8.0
3	1	reservoir	HEPES-NaOH	0.1 (M)
4	1	reservoir	isopropanol	10 (%)
5	1	reservoir	PEG4000	24 (%)	pH7.6