3F2D
DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP, Mn and Zn
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-17 |
Wavelength(s) | 0.999887 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 115.997, 139.479, 184.074 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.150 - 2.510 |
R-factor | 0.218 |
Rwork | 0.216 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f2b |
RMSD bond length | 0.013 |
RMSD bond angle | 1.701 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.150 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.087 | 0.642 |
Number of reflections | 50821 | |
<I/σ(I)> | 11.2 | |
Completeness [%] | 99.8 | 99 |
Redundancy | 4.9 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.3 | 289 | 20% PEG 2000 MME, 0.1M PHOSPHATE CITRATE, 200MM LITHIUM SULFATE, 1 mM ZnCl2, 2 mM MnCl2, pH 5.30, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | PEG 2000 MME | ||
10 | 1 | 2 | MnCl2 | ||
2 | 1 | 1 | PHOSPHATE CITRATE | ||
3 | 1 | 1 | LITHIUM SULFATE | ||
4 | 1 | 1 | ZnCl2 | ||
5 | 1 | 1 | MnCl2 | ||
6 | 1 | 2 | PEG 2000 MME | ||
7 | 1 | 2 | PHOSPHATE CITRATE | ||
8 | 1 | 2 | LITHIUM SULFATE | ||
9 | 1 | 2 | ZnCl2 |