7BJS

Crystal structure of Khc/atypical Tm1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9797
Spacegroup name	P 1 21 1
Unit cell lengths	28.770, 33.490, 126.000
Unit cell angles	90.00, 94.58, 90.00

Refinement procedure

Resolution	41.870 - 2.280
R-factor	0.2307
Rwork	0.228
R-free	0.27810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Poly Ala triple helix
Data reduction software	HKL-2000
Data scaling software	XSCALE
Phasing software	Arcimboldo
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.870	41.870	2.340
High resolution limit [Å]	2.280	10.190	2.280
Rmerge	0.105	0.040	1.046
Rmeas	0.125	0.048	1.269
Total number of observations	71511
Number of reflections	21116	223	1410
<I/σ(I)>	6.7	19.24	0.99
Completeness [%]	98.5	91	88.4
Redundancy	3.387	3.336	2.969
CC(1/2)	0.996	0.998	0.345

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M NaAc, 20% PEG 3350