5EGW

2.70 A crystal structure of the Amb a 11 cysteine protease, a major ragweed pollen allergen, in its proform

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	83.450, 89.550, 104.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.780 - 2.700
R-factor	0.181
Rwork	0.179
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1s4v
RMSD bond length	0.010
RMSD bond angle	1.230
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.000	2.850
High resolution limit [Å]	2.700	2.700
Number of reflections	21824
<I/σ(I)>	12.9	1.25
Completeness [%]	99.0	93.7
Redundancy	7.44

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	protein buffer:20 mM Tris HCl pH 8.5, 150 mM NaCl, 5% (v/v) glycerol; precipitant solution: 100 mM trisodium citrate, 20% PEG 4000, 20% isopropanol