1OXW

The Crystal Structure of SeMet Patatin

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	113
Detector technology	CCD
Collection date	1999-08-25
Detector	MARRESEARCH
Wavelength(s)	0.9791, 0.9792, 1.019, 0.9419
Spacegroup name	C 2 2 21
Unit cell lengths	97.180, 171.420, 129.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
Rwork	0.220
R-free	0.27200
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.272
Data scaling software	SCALEPACK
Phasing software	SOLVE (& AMoRE)
Refinement software	X-PLOR (98.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.077 *
Total number of observations	762165 *
Number of reflections	55261 *
<I/σ(I)>	36.2	7
Completeness [%]	100.0 *	80.4
Redundancy	13.8 *	2.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	PEG 3350, AMMONIUM ACETATE, TRIS BUFFER, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris	10 (mM)	pH7.4
3	1	reservoir	PEG3350	16 (%)
4	1	reservoir	ammonium acetate	0.24 (M)