4KI4

Ternary complex of rb69 mutant L415F with ribonucleotides at 0 and -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	2012-11-23
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	80.734, 118.840, 127.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.485 - 2.450
R-factor	0.1931
Rwork	0.192
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cq8
RMSD bond length	0.002
RMSD bond angle	0.685
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.8.1_1168)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.450	2.450
Rmerge	0.079	0.523
Number of reflections	45787
Completeness [%]	99.8	97.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	50 MM TRIS-HCL, 16% PEG350, 180 MM CALCIUM CHLORIDE , pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K