3P2F

Crystal structure of TofI in an apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6C1
Synchrotron site	PAL/PLS
Beamline	6C1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-20
Detector	ADSC QUANTUM 210
Wavelength(s)	1.2398
Spacegroup name	P 32 2 1
Unit cell lengths	65.971, 65.971, 104.768
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.610 - 2.300
Rwork	0.229
R-free	0.27010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.258
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.079	0.045	0.258
Number of reflections	12241
<I/σ(I)>	11
Completeness [%]	100.0	100	100
Redundancy	10.7	9.5	10.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.1M HEPES (pH 7.5), 20mM MgCl2, 24% polyacrylic acid 5100, VAPOR DIFFUSION, HANGING DROP, temperature 295K