1CF5

BETA-MOMORCHARIN STRUCTURE AT 2.55 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	293
Detector technology	AREA DETECTOR
Detector	SIEMENS
Spacegroup name	P 1
Unit cell lengths	49.090, 50.580, 61.120
Unit cell angles	72.98, 78.39, 76.97

Refinement procedure

Resolution	10.000 - 2.550
R-factor	0.172
Rwork	0.172
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	27.400 *
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	MERLOT
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.560
High resolution limit [Å]	2.410	2.410
Rmerge	0.078
Number of reflections	17215
<I/σ(I)>	16
Completeness [%]	74.0	30
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.1		pH 6.10

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG8000	14 (%(w/v))
2	1	drop	phosphate	0.1 (M)
3	1	drop	protein	1.5 (%(w/v))
4	1	reservoir	PEG8000	28 (%(w/v))
5	1	reservoir	phosphate	0.2 (M)