8CEW
Crystal structure of human DNA cross-link repair 1A in complex with N-hydroxyimide inhibitor H1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.590, 56.500, 113.950 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.130 - 1.530 |
R-factor | 0.1988 |
Rwork | 0.198 |
R-free | 0.22360 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.003 |
RMSD bond angle | 0.629 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | REFMAC |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.130 | 1.570 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmerge | 0.090 | 0.985 |
Rpim | 0.039 | |
Number of reflections | 51062 | 3716 |
<I/σ(I)> | 9.8 | 1.3 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 6 | |
CC(1/2) | 0.996 | 0.609 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 278 | 30% PEG 1000, 0.1M MIB buffer |