5TXX

DNA Polymerase Mu Pre-Catalytic Ground State Ternary Complex, Ca2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-23
Detector	RAYONIX MX-225
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	59.538, 68.243, 110.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.769 - 1.948
R-factor	0.1606
Rwork	0.159
R-free	0.19510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4m04
RMSD bond length	0.007
RMSD bond angle	0.947
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.960
High resolution limit [Å]	1.930	5.240	1.930
Rmerge	0.079	0.031	0.427
Total number of observations	155935
Number of reflections	32947
<I/σ(I)>	8.8
Completeness [%]	99.0	98.5	90.2
Redundancy	4.7	4.5	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	85-90mM HEPES pH 7.5, 17-18% PEG4000