1O50

Crystal structure of a cbs domain-containing protein (tm0935) from thermotoga maritima at 1.87 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-03
Detector	ADSC QUANTUM 315
Spacegroup name	P 41 21 2
Unit cell lengths	45.169, 45.169, 177.196
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.430 - 1.870
R-factor	0.19435
Rwork	0.191
R-free	0.25500 *
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.550 *
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.630	1.880
High resolution limit [Å]	1.830	1.830
Rmerge	0.072 *	0.622 *
Total number of observations	54281 *
Number of reflections	16963
<I/σ(I)>	10.5	1.7
Completeness [%]	99.0	90.6
Redundancy	3.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.9 *	277	crystal 1: 20% PEG-6000, 0.1M MES pH 6.0, 1M LiCl, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	Vapor diffusion *	7.9 *	277	crystal 1: 20% PEG-6000, 0.1M MES pH 6.0, 1M LiCl, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	Vapor diffusion *	7.9 *	277	crystal 1: 20% PEG-6000, 0.1M MES pH 6.0, 1M LiCl, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium formate	0.2 (M)
2	1	reservoir	PEG3350	20 (%)	pH6.6
3	1	drop	Tris	20 (mM)	pH7.9
4	1	drop		150 (mM)
5	1	drop	TCEP	0.25 (mM)
6	1	drop	protein	24 (mg/ml)