9TPI

Survivin 1-122 in complex with a molecular tweezer-Histone-H3-peptide conjugate

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99989
Spacegroup name	C 1 2 1
Unit cell lengths	95.450, 63.990, 63.080
Unit cell angles	90.00, 127.61, 90.00

Refinement procedure

Resolution	49.970 - 1.800
R-factor	0.1986
Rwork	0.197
R-free	0.23470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.369
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.970	49.970	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.095	0.050	1.299
Rmeas	0.103	0.054	1.432
Total number of observations	172494
Number of reflections	25434	338	1071
<I/σ(I)>	10.72	30.78	1.38
Completeness [%]	90.4	98	52
Redundancy	6.782	6.725	5.687
CC(1/2)	0.997	0.998	0.720

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.1M imidazole pH 8.0, 0.05M Ca-acetate, 35% v/v 2-ethoxyethanol