8HLL

Crystal structure of p53/BCL2 fusion complex (complex 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-01-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	46.870, 70.480, 126.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.624 - 2.620
R-factor	0.2302
Rwork	0.225
R-free	0.27950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1TUP/6QGG
RMSD bond length	0.003
RMSD bond angle	0.550
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.624	2.714
High resolution limit [Å]	2.620	2.620
Rmerge	0.257	1.185
Rmeas	0.268
Rpim	0.075	0.341
Number of reflections	13228	1299
<I/σ(I)>	39.74	2.83
Completeness [%]	99.7	99.85
Redundancy	12.9	13
CC(1/2)	0.977	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	291	PEG 8K 8%-13%, 0.1M HEPES, 0.8% ethylene glycol