4HTU
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 | 64.075, 64.756, 116.469 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.877 - 1.489 |
R-factor | 0.2181 |
Rwork | 0.189 |
R-free | 0.21810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d0p |
RMSD bond length | 0.008 |
RMSD bond angle | 1.304 |
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] | 58.235 | 1.570 | 1.520 |
High resolution limit [Å] | 1.489 | 1.540 | 1.490 |
Rmerge | 0.600 | 0.831 | |
Number of reflections | 77452 | ||
Completeness [%] | 96.9 | 95.6 | 95.1 |
Redundancy | 6.7 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING 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, SITTING DROP, temperature 277K |