3C6Y

HNL from Hevea brasiliensis to atomic resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-06
Detector	MAR CCD 165 mm
Wavelength(s)	0.8162
Spacegroup name	C 2 2 21
Unit cell lengths	47.249, 106.104, 128.206
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 1.250
Structure solution method	MR/rigid body placement
Starting model (for MR)	1qj4
RMSD bond length	0.012
RMSD bond angle	0.028
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]	15.000	1.260
High resolution limit [Å]	1.250	1.250
Rmerge	0.057	0.540
Number of reflections	83123
<I/σ(I)>	19	1.5
Completeness [%]	100.0	60
Redundancy	3.5	3.5

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