7M4D

DNA Polymerase Lambda, dCTP:At Ca2+ Ground State Ternary Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	55.750, 59.917, 141.302
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.212 - 1.817
R-factor	0.2125
Rwork	0.210
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3upq
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL-3000
Refinement software	PHENIX (v1.15.2-3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.850
High resolution limit [Å]	1.817	4.940	1.820
Rmerge	0.092	0.093	0.859
Rmeas	0.101	0.102	0.936
Rpim	0.040	0.041	0.367
Number of reflections	43383	2339	2116
<I/σ(I)>	8.9
Completeness [%]	99.7	98	99.8
Redundancy	6.7	6.3	6.2
CC(1/2)		0.987	0.740

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	80-95mM BICINE pH 8.3, 0.3M Na-K Tartrate, 18-22.5% PolyPure PEG