30DC

T2R-TTL-compound 40 complex

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-02-23
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	105.374, 157.025, 183.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.690 - 2.640
R-factor	0.1909
Rwork	0.190
R-free	0.25110
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.003
RMSD bond angle	0.493
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX (2.0_5936)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.690	2.670
High resolution limit [Å]	2.640	2.640
Rmerge	0.145	4.767
Rmeas	0.151	4.948
Rpim	0.041	1.320
Number of reflections	89764	3257
<I/σ(I)>	11.4	0.33
Completeness [%]	98.7
Redundancy	13.8	14
CC(1/2)	0.989	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	5-6% PEG 4K, 8-14% glycerol, 30 mM MgCl2, 30 mM CaCl2, 0.1 M MES/Imidazole, 5 mM L-tyrosine