1LLS

CRYSTAL STRUCTURE OF UNLIGANDED MALTOSE BINDING PROTEIN WITH XENON

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-01-31
Detector	ADSC
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	38.207, 44.026, 57.649
Unit cell angles	100.75, 101.36, 102.62

Refinement procedure

Resolution	17.070 - 1.800
R-factor	0.204
Rwork	0.204
R-free	0.22600
Structure solution method	Isomorphous with Structure in Database
Starting model (for MR)	1omp
RMSD bond length	0.010
RMSD bond angle	22.600 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.070	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.029 *
Total number of observations	55908 *
Number of reflections	29855
<I/σ(I)>	19.9	10.4
Completeness [%]	92.3	76

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	298	10 mM Sodium Citrate, 23% PEG 8000, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	16 (mg/ml)
2	1	reservoir	sodium citrate	10 (mM)
3	1	reservoir	PEG8000	23 (%(w/v))	pH6.6