8HLN

Crystal structure of p53/BCL2 fusion complex(complex3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-19
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	44.701, 70.528, 127.725
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.829 - 2.354
R-factor	0.2071
Rwork	0.202
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1TUP/6QGG
RMSD bond length	0.003
RMSD bond angle	0.541
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.350	6.370	2.350
Rmerge	0.169	0.098	0.672
Rmeas	0.177	0.102	0.711
Rpim	0.051	0.029	0.225
Total number of observations	180047
Number of reflections	16906	963	673
<I/σ(I)>	7.8
Completeness [%]	97.1	99.1	81.3
Redundancy	10.6	11.8	7.3
CC(1/2)		0.996	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	291	0.1 M HEPES, PEG8000 8%-13%, 0.8% ethylene glycol