1ZRE
4 crystal structures of CAP-DNA with all base-pair substitutions at position 6, CAP-[6G;17C]ICAP38 DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 108 |
Detector technology | CCD |
Collection date | 2004-04-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.352, 75.566, 179.979 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.660 - 2.800 |
R-factor | 0.285 |
Rwork | 0.233 |
R-free | 0.28300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zrc |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.660 | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 6.030 | 2.800 |
Rmerge | 0.090 | 0.056 | 0.481 |
Number of reflections | 21500 | ||
Completeness [%] | 98.6 | ||
Redundancy | 6.2 | 6.1 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 295 | 2mM cAMP, 0.1M MES, 0.2M NaCl, 0.05M MgCl2, 5% PEG 8000, 15% Dioxane, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | cAMP | ||
10 | 1 | 2 | NaCl | ||
11 | 1 | 2 | MgCl2 | ||
12 | 1 | 2 | PEG 8000 | ||
13 | 1 | 2 | H2O | ||
2 | 1 | 1 | MES | ||
3 | 1 | 1 | NaCl | ||
4 | 1 | 1 | MgCl2 | ||
5 | 1 | 1 | PEG 8000 | ||
6 | 1 | 1 | Dioxane | ||
7 | 1 | 1 | H2O | ||
8 | 1 | 2 | cAMP | ||
9 | 1 | 2 | MES |