4HUF
Structure of 5-chlorouracil modified A:U base pair
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.193, 64.748, 116.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.896 - 1.690 |
R-factor | 0.2277 |
Rwork | 0.192 |
R-free | 0.22770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d0p |
RMSD bond length | 0.008 |
RMSD bond angle | 1.329 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.780 | 1.720 |
High resolution limit [Å] | 1.690 | 1.750 | 1.690 |
Rmerge | 0.481 | 0.675 | |
Number of reflections | 54315 | ||
Completeness [%] | 98.3 | 96.8 | 97.3 |
Redundancy | 7.4 | 7.2 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.2 M magnesium acetate, 0.1 M sodium cacodylate (pH 6.5) and 20% (w/v) PEG 8000 , VAPOR DIFFUSION, HANGING DROP, temperature 277K |