1KQ4

CRYSTAL STRUCTURE OF A THY1-COMPLEMENTING PROTEIN (TM0449) FROM THERMOTOGA MARITIMA AT 2.25 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-05-30
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	54.200, 116.610, 141.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.250
R-factor	0.192
Rwork	0.192
R-free	0.24000
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.270
High resolution limit [Å]	2.250	2.250
Number of reflections	43752
<I/σ(I)>	10.6
Completeness [%]	99.1	100
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5	293	50% (v/v)PEG-200, 0.1M HEPES pH7.5, final pH7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K