4KHU

Ternary complex of rb69 mutant L415F with a ribonucleotide at -1 position

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2010-05-12
Detector	MAR scanner 300 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	80.977, 119.350, 127.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.620 - 2.050
R-factor	0.209
Rwork	0.207
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.209
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	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.089	0.503
Number of reflections	64642
Completeness [%]	97.9	84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	50 MM TRIS-HCL, 13% PEG350, 180 MM CALCIUM CHLORIDE, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K