2Q33

Crystal structure of all-D monellin at 1.8 A resolution

Replaces:  1N98

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1994-09-15
Detector	MARRESEARCH
Spacegroup name	P 1 2 1
Unit cell lengths	40.400, 32.940, 41.110
Unit cell angles	90.00, 96.73, 90.00

Refinement procedure

Resolution	6.000 - 1.800
R-factor	0.175
Rwork	0.175
R-free	0.22200 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.610 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.045 *
Number of reflections	17490 *
<I/σ(I)>	11
Completeness [%]	90.0	70
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.2	277	20 MM SODIUM PHOSPHATE BUFFER, 28% PEG 8000, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K, pH 7.20

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium phosphate	20 (mM)	pH7.2
2	1	reservoir	PEG8000	28 (%)
3	1	drop	protein	10 (mg/ml)