5MXB

Crystal structure of yellow lupin LLPR-10.2B protein in complex with melatonin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.918410
Spacegroup name	P 65
Unit cell lengths	74.469, 74.469, 67.110
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.230 - 1.510
R-factor	0.1838
Rwork	0.183
R-free	0.21070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qim
RMSD bond length	0.019
RMSD bond angle	1.933
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.230	37.230	1.600
High resolution limit [Å]	1.510	4.510	1.510
Rmerge	0.040	0.031	0.695
Rmeas	0.047	0.037	0.803
Number of reflections	33163	1271	5344
<I/σ(I)>	18.48	46.31	2.18
Completeness [%]	99.7	98.4	99.4
Redundancy	4.069	3.847	3.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	292	1.4 M sodium citrate pH 6.3