4I9L

Crystal structure of the D714A mutant of RB69 DNA polymerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-16
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	116.875, 199.369, 80.822
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.240 - 2.600
R-factor	0.216
Rwork	0.214
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ih7
RMSD bond length	0.008
RMSD bond angle	1.016
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.140	0.829
Number of reflections	59560
<I/σ(I)>	15.2	2.5
Completeness [%]	99.5	100
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.6		1.65 M AMMONIUM SULPHATE, 0.01 M MAGNESIUM CHLORIDE, 0.05 M SODIUM CITRATE DIHYDROGEN, PH 5.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K