6WID

Nucleotide incorporation intermediate into 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	60.186, 62.040, 118.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.020 - 1.500
R-factor	0.1644
Rwork	0.164
R-free	0.17740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m04
RMSD bond length	0.009
RMSD bond angle	1.087
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	1.530
High resolution limit [Å]	1.500	1.500
Rmeas	0.091	0.606
Rpim	0.037	0.255
Number of reflections	71251	3524
<I/σ(I)>	28.5	2.24
Completeness [%]	99.8	99.9
Redundancy	6	5.5
CC(1/2)	0.998	0.848

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