9EL7

LSD1-CoREST in complex with T105 enantiomer (1R,2S)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-21
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.96546
Spacegroup name	I 2 2 2
Unit cell lengths	120.104, 179.769, 235.063
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.190 - 2.870
R-factor	0.2171
Rwork	0.216
R-free	0.24240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.329
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.190	2.970
High resolution limit [Å]	2.870	2.870
Rmerge	0.117	1.605
Rmeas	0.127	1.736
Rpim	0.050	0.659
Total number of observations	378415	39003
Number of reflections	58387	5666
<I/σ(I)>	14.6	1.3
Completeness [%]	100.0
Redundancy	6.5	6.9
CC(1/2)	0.998	0.606

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	1.2 Na/K Tartrate, 100 mM ADA pH 6.5