8Y20

Crystal structure of the Mcl-1 in complex with A-1210477

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97923
Spacegroup name	P 21 21 2
Unit cell lengths	100.100, 137.280, 38.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.660 - 2.230
R-factor	0.1912
Rwork	0.187
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	0.884
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.660	2.310
High resolution limit [Å]	2.230	2.230
Rmerge	0.119	1.289
Rmeas	0.124	1.341
Rpim	0.035	0.364
Number of reflections	27170	2601
<I/σ(I)>	16.6	2.32
Completeness [%]	99.8	99.42
Redundancy	12.7	13.3
CC(1/2)	0.999	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	25% PEG 3350, 0.2M Magnesium Formate, 1mM Maltose