30DD

T2R-TTL-compound 63 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	105.206, 156.661, 182.725
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.960 - 2.610
R-factor	0.1938
Rwork	0.193
R-free	0.22850
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]	49.960	2.640
High resolution limit [Å]	2.610	2.610
Rmerge	0.116	3.810
Rmeas	0.120	3.947
Rpim	0.032	1.029
Number of reflections	91734	3316
<I/σ(I)>	12.15	0.37
Completeness [%]	99.3	96.18
Redundancy	13.9	14.5
CC(1/2)	0.999	0.325

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