5MDN

Structure of the family B DNA polymerase from the hyperthermophilic archaeon Pyrobaculum calidifontis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	74.190, 100.742, 119.335
Unit cell angles	90.00, 94.72, 90.00

Refinement procedure

Resolution	65.247 - 2.800
R-factor	0.2537
Rwork	0.252
R-free	0.28960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2xhb 3a2f 1wn7 1s5j
RMSD bond length	0.003
RMSD bond angle	0.733
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.11rc3_2553: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	118.930	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.100	0.770
Number of reflections	42313
<I/σ(I)>	6.8	1.8
Completeness [%]	97.5	96.9
Redundancy	3.6	3.7
CC(1/2)	0.990	0.590

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	PEG 3350, potassium thiocyanate, Bis-Tris propane