1PUO

Crystal structure of Fel d 1- the major cat allergen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	110
Detector technology	CCD
Collection date	2002-09-14
Detector	MARRESEARCH
Wavelength(s)	1.13
Spacegroup name	P 1 21 1
Unit cell lengths	43.290, 51.539, 67.725
Unit cell angles	90.00, 95.27, 90.00

Refinement procedure

Resolution	30.000 * - 1.850
R-factor	0.20275
Rwork	0.201
R-free	0.23900 *
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.270 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.089 *	0.460 *
Total number of observations	25113 *
Number of reflections	69889 *
<I/σ(I)>	9.7	2.5
Completeness [%]	98.4	99.7
Redundancy	2.8	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	4 *	MPD, sodium acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	4 *	MPD, sodium acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7.5 (mg/ml)
2	1	reservoir	Tris-HCl	20 (mM)	pH7.5