5NZY
Crystal structure of DNA cross-link repair protein 1A in complex with Cefotaxime
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 | 2017-04-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.975 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.122, 55.830, 112.743 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.031 - 1.551 |
R-factor | 0.2078 |
Rwork | 0.206 |
R-free | 0.24560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ago |
RMSD bond length | 0.004 |
RMSD bond angle | 0.751 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 112.700 | 1.590 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.075 | 1.350 |
Rpim | 0.049 | 0.684 |
Number of reflections | 47632 | 3452 |
<I/σ(I)> | 8.8 | 0.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.1 | 5.9 |
CC(1/2) | 0.998 | 0.533 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 278 | 30 % PEG 1000, 0.1 M MIB buffer pH 6.0 |