4KHY

Ternary complex of rb69 mutant L415F with ribonucleotide at -3 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	2011-09-23
Detector	MAR scanner 300 mm plate
Spacegroup name	P 21 21 21
Unit cell lengths	80.795, 118.240, 127.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.340 - 2.250
R-factor	0.201
Rwork	0.198
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cq8
RMSD bond length	0.007
RMSD bond angle	0.805
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	2.330
High resolution limit [Å]	2.200	2.200
Number of reflections	50172
Completeness [%]	98.4	88.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	298	50 MM TRIS-HCL, 17.5% PEG350, 180 MM CALCIUM CHLORIDE, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 295K, temperature 298K