6WIC

Pre-catalytic quaternary complex of human Polymerase Mu on a complementary DNA double-strand break substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	93
Detector technology	PIXEL
Collection date	2019-12-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	60.134, 62.233, 118.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.880 - 1.550
R-factor	0.166
Rwork	0.166
R-free	0.17940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m04
RMSD bond length	0.009
RMSD bond angle	1.038
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.580
High resolution limit [Å]	1.550	1.550
Rmeas	0.067	0.604
Rpim	0.027	0.275
Number of reflections	64813	3163
<I/σ(I)>	26.6	1.5
Completeness [%]	99.5	98.1
Redundancy	6.4	4.5
CC(1/2)	0.998	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	40-45.5 mM MES, pH 5.6, 0.16-0.182 M potassium chloride, 8.2-9.1 mM magnesium sulfate, 8.2-9.1% w/v PEG400