6K2F

Structure of Eh TWINFILIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	34.710, 86.544, 88.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.270 - 1.550
R-factor	0.16663
Rwork	0.166
R-free	0.18731
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vac
RMSD bond length	0.009
RMSD bond angle	1.435
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.270	1.605
High resolution limit [Å]	1.550	1.550
Rmerge	0.640	1.249
Rmeas	0.666	1.295
Rpim	0.167	0.333
Number of reflections	39360	3875
<I/σ(I)>	86.04	6.09
Completeness [%]	99.8	99.51
Redundancy	4.3
CC(1/2)	0.858	0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.3	289	25-35% PEG 3350, 100 mM HEPES, pH 7.3-7.7