1T39
HUMAN O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE COVALENTLY CROSSLINKED TO DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 200 |
Collection date | 2002-06-28 |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 228.145, 41.250, 70.629 |
Unit cell angles | 90.00, 103.14, 90.00 |
Refinement procedure
Resolution | 27.770 - 3.300 |
R-factor | 0.296 |
Rwork | 0.296 |
R-free | 0.34400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eh6 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.000 | |
High resolution limit [Å] | 3.300 | 3.300 |
Number of reflections | 9362 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | PEG 8000, MES, calcium acetate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | PEG 8000 | ||
2 | 1 | 1 | MES | ||
3 | 1 | 1 | calcium acetate | ||
4 | 1 | 1 | H2O | ||
5 | 1 | 2 | PEG 8000 | ||
6 | 1 | 2 | calcium acetate | ||
7 | 1 | 2 | H2O |