8XPA
Crystal structure of d(ACGmCCGT/ACGGCGT)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-02-19 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 0.99984 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.432, 46.243, 47.061 |
Unit cell angles | 90.00, 110.92, 90.00 |
Refinement procedure
Resolution | 24.280 - 2.000 |
R-factor | 0.2241 |
Rwork | 0.221 |
R-free | 0.25210 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.025 |
RMSD bond angle | 2.042 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 10.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.046 | 0.035 | 0.200 |
Rmeas | 0.042 | 0.236 | |
Rpim | 0.022 | 0.123 | |
Number of reflections | 10734 | 1085 | 1077 |
<I/σ(I)> | 16.7 | ||
Completeness [%] | 99.0 | 96.4 | 99.7 |
Redundancy | 3.6 | 3.5 | 3.6 |
CC(1/2) | 0.998 | 0.969 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 50mM MES (pH 6.5), 1mM Spermine HCl, 20% PEG 400 |