4KHW

Ternary complex of RB69 mutant L415F with ribonucleotide at -2 position

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	95
Detector technology	CCD
Collection date	2010-06-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	80.355, 118.630, 126.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.642 - 2.371
R-factor	0.1743
Rwork	0.172
R-free	0.22410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.764
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.7_650)
Refinement software	PHENIX ((PHENIX.REFINE: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.371	2.370
Rmerge	0.070	0.453
Number of reflections	44309
Completeness [%]	98.7	98.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	50 MM TRIS-HCL, 19% PEG350, 180 MM CALCIUM CHLORIDE,, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K