6MBX

CRYSTAL STRUCTURE OF MUSKMELON ALLERGEN CUC M 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-07-26
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97933
Spacegroup name	C 1 2 1
Unit cell lengths	102.608, 59.237, 82.911
Unit cell angles	90.00, 90.02, 90.00

Refinement procedure

Resolution	32.260 - 2.400
R-factor	0.23256
Rwork	0.231
R-free	0.26110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5em0
RMSD bond length	0.010
RMSD bond angle	1.294
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.037	0.309
Rmeas	0.042	0.607
Rpim	0.026	0.368
Number of reflections	19535	962
<I/σ(I)>	31.8	2.3
Completeness [%]	99.2	100
Redundancy	2.5	2.5
CC(1/2)		0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	2.8M sodium acetate trihydrate