4BTM

TTBK1 in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	127.590, 108.420, 110.760
Unit cell angles	90.00, 94.14, 90.00

Refinement procedure

Resolution	43.290 - 2.540
R-factor	0.1789
Rwork	0.177
R-free	0.20840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cki 1LHX 2cmw 2izu 2v62 3ggf 3op5
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	XDS
Data scaling software	SCALA
Refinement software	BUSTER (2.11.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.290	2.610
High resolution limit [Å]	2.540	2.540
Rmerge	0.070	0.780
Number of reflections	48993
<I/σ(I)>	15.1	1.8
Completeness [%]	98.9	99.3
Redundancy	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1