6J82

Crystal structure of TleB apo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-24
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	39.712, 84.758, 113.124
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.048 - 2.202
R-factor	0.1749
Rwork	0.168
R-free	0.23640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wvs
RMSD bond length	0.007
RMSD bond angle	0.869
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.050	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.118	0.614
Number of reflections	20062	1650
<I/σ(I)>	14.9	3.4
Completeness [%]	99.8	97.6
Redundancy	7.2	7.2
CC(1/2)	0.997	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM MES (pH 6.0) containing 1600 mM Na/Ka tartrate and 5% 1, 4-dioxane