3CQ8
Ternary complex of the L415F mutant RB69 exo(-)polymerase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-12 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.840, 117.006, 127.823 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.700 - 2.500 |
R-factor | 0.212 |
Rwork | 0.212 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ig9 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 42387 | |
<I/σ(I)> | 17.5 | 2.7 |
Completeness [%] | 98.6 | 99.5 |
Redundancy | 5.6 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 296 | 220mM CaCl2, 25% monometheyl ether PEG350, and 50mM Tris-HCL, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | CaCl2 | ||
2 | 1 | 1 | monometheyl ether PEG350 | ||
3 | 1 | 1 | Tris-HCL | ||
4 | 1 | 2 | CaCl2 | ||
5 | 1 | 2 | monometheyl ether PEG350 | ||
6 | 1 | 2 | Tris-HCL |