2OR7

Tim-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM16
Synchrotron site	ESRF
Beamline	BM16
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	61.490, 60.410, 69.110
Unit cell angles	90.00, 115.90, 90.00

Refinement procedure

Resolution	15.000 - 1.500
R-factor	0.194
Rwork	0.192
R-free	0.20800
Structure solution method	SIRAS
RMSD bond length	0.005
RMSD bond angle	1.620
Data reduction software	XDS
Data scaling software	CCP4 ((SCALA))
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.074	0.235
Number of reflections	35925
<I/σ(I)>	6	3
Completeness [%]	99.0	99.6
Redundancy	3.5	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	30% PEG-2000 methylether, 5% PEG-400, 0.2M ammonium sulphate, 0.1M sodium acetate, and 4% 1,2,3-heptanetriol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	30% PEG-2000 methylether, 5% PEG-400, 0.2M ammonium sulphate, 0.1M sodium acetate, and 4% 1,2,3-heptanetriol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K