9PQ6

MBP-Mcl1 in complex with ligand 12

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	2020-04-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9999
Spacegroup name	P 21 21 2
Unit cell lengths	99.573, 137.150, 38.524
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	80.580 - 1.530
R-factor	0.17397
Rwork	0.172
R-free	0.21135
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.593
Data reduction software	autoPROC
Data scaling software	autoPROC ((Version 1.1.7))
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.580	1.556
High resolution limit [Å]	1.530	1.530
Rmerge	0.083	1.487
Rmeas	0.085
Number of reflections	80684	4227
<I/σ(I)>	11.9	1.3
Completeness [%]	100.0	100
Redundancy	8.2	8.5
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	285	19% (w/v) PEG3350, 0.17M Magnesium formate