3C6X

HNL from Hevea brasiliensis to atomic resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-03-05
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.8430
Spacegroup name	C 2 2 21
Unit cell lengths	47.251, 106.343, 128.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.050
Structure solution method	AB INITIO
Starting model (for MR)	1qj4
RMSD bond length	0.027
RMSD bond angle	0.034
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC ((rigid body))
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.060
High resolution limit [Å]	1.050	1.050
Rmerge	0.039	0.256
Number of reflections	145064
<I/σ(I)>	33	3.7
Completeness [%]	100.0	88
Redundancy	4.1	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	2% PEG400, 2M ammonium sulphate, 0.1M Hepes-Na, pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K