1MGP

Hypothetical protein TM841 from Thermotoga maritima reveals fatty acid binding function

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	2001-06-12
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97910
Spacegroup name	P 61 2 2
Unit cell lengths	115.010, 115.010, 91.260
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 2.000
Rwork	0.202
R-free	0.24260 *
Structure solution method	single anomolous dispersion
RMSD bond length	0.005
RMSD bond angle	1.270 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.060
High resolution limit [Å]	2.000	2.000
Rmerge	0.096 *	0.400 *
Total number of observations	417875 *
Number of reflections	45541
<I/σ(I)>	24	4.5
Completeness [%]	99.8	99.1
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	298	magnesium sulfate, PEG 3350, PEG 400, HEPES, 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	HEPES	20 (mM)	pH7.5
3	1	drop	EDTA	1 (mM)
4	1	drop	dithiothreitol	1 (mM)
5	1	reservoir		0.2 (M)
6	1	reservoir	PEG3350	20 (%)