1O3U

Crystal structure of an hepn domain protein (tm0613) from thermotoga maritima at 1.75 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-11
Detector	ADSC
Wavelength(s)	0.97910, 0.97930, 0.91840
Spacegroup name	P 41 21 2
Unit cell lengths	57.922, 57.922, 63.735
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.900 - 1.750
R-factor	0.185
Rwork	0.179
R-free	0.23700
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.260 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.030 *	1.800
High resolution limit [Å]	1.750	1.750
Rmerge	0.076 *	0.417 *
Total number of observations	55732 *
Number of reflections	10976 *
<I/σ(I)>	16.5	2.2
Completeness [%]	95.6	72.3
Redundancy	5.1	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.9 *	293	10% PEG 8000; Imidazole pH 8.0; 0.2 M Ca(Ac)2, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K, pH 8.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	20 (mM)	pH7.9
2	1	drop		150 (mM)
3	1	drop	TCEP	0.25 (mM)
4	1	reservoir	PEG8000	10 (%(w/v))
5	1	reservoir	calcium acetate	200 (mM)
6	1	reservoir	imidazole	100 (mM)	pH8.0