5WHH

Crystal Structure of Bcl-2-related protein A1 in complex with stapled peptide (AQ7)T(0EH)LRRFGD(MK8)INFRQ(NH2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	P 32 2 1
Unit cell lengths	86.710, 86.710, 40.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.360 - 2.380
R-factor	0.214
Rwork	0.211
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i1h
RMSD bond length	0.005
RMSD bond angle	0.604
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.350	2.420
High resolution limit [Å]	2.380	2.380
Number of reflections	7168
<I/σ(I)>	11.2	1.2
Completeness [%]	99.3	92.1
Redundancy	9.8	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	PEG3350 20%, 0.2M Sodium malonate