1VPQ

CRYSTAL STRUCTURE OF a DUF72 family protein (TM1631) FROM THERMOTOGA MARITIMA MSB8 AT 2.20 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-07
Detector	ADSC QUANTUM 315
Spacegroup name	C 2 2 21
Unit cell lengths	53.286, 136.238, 80.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.630 - 2.200
R-factor	0.20872
Rwork	0.206
R-free	0.26256
Structure solution method	MAD + MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.050
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.630	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.095	0.400
Number of reflections	13378
<I/σ(I)>	10.5	2.8
Completeness [%]	88.4	67.3
Redundancy	3.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	9.5	277	1.26M (NH4)2SO4, 0.2M NaCl 0.1M CHES pH9.5 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	9.5	277	1.26M (NH4)2SO4, 0.2M NaCl 0.1M CHES pH9.5 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	9.5	277	1.26M (NH4)2SO4, 0.2M NaCl 0.1M CHES pH9.5 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K