1MG7

Crystal Structure of xol-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	93
Detector technology	CCD
Collection date	2001-11-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	116.071, 86.023, 80.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.550
Rwork	0.204
R-free	0.21300 *
Structure solution method	MAD
RMSD bond length	0.006 *
RMSD bond angle	1.400 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.550	1.500
Rmerge	0.054 *	0.540 *
Number of reflections	113135 *	12340 *
<I/σ(I)>	25.2	1.6
Completeness [%]	97.3	96.9 *
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.8	4 *	peg 400, magnesium chloride, hepes, dtt, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	80 (mg/ml)
2	1	reservoir	HEPES	0.1 (M)	pH7.8
3	1	reservoir		0.2 (M)
4	1	reservoir	PEG400	17.5 (%)
5	1	reservoir	MPD	5 (%)