5IWD

HCMV DNA polymerase subunit UL44 complex with a small molecule

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-10
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97918
Spacegroup name	C 2 2 21
Unit cell lengths	91.801, 127.041, 66.003
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.122 - 2.560
R-factor	0.215
Rwork	0.212
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	BD1YYP
RMSD bond length	0.008
RMSD bond angle	1.102
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.550	2.550
Rmerge		0.478
Number of reflections	12483
<I/σ(I)>	27.1	2.1
Completeness [%]	98.0	100
Redundancy	3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	1 uL of 10 mg/mL UL44 in the storage buffer (20 mM Tris (pH 7.5), 500 mM NaCl, 0.1 mM EDTA, 2 mM DTT and 5% glycerol) and 1 uL crystallization buffer (75 mM ammonium sulfate, 50 mM HEPES (pH 7.5) and 10% PEG4K) were mixed in hanging drops. Crystals were obtained by vapor diffusion over a 1.8 M NaCl solution, after one day