5NZX
Crystal structure of DNA cross-link repair protein 1A in complex with Ceftriaxone (alternative site)
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 | 2017-01-26 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.450, 56.550, 113.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.860 - 1.470 |
R-factor | 0.16964 |
Rwork | 0.168 |
R-free | 0.20666 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5aho |
RMSD bond length | 0.008 |
RMSD bond angle | 1.346 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.430 | 1.460 |
High resolution limit [Å] | 1.420 | 1.420 |
Rmerge | 0.036 | 0.985 |
Rpim | 0.023 | 0.787 |
Number of reflections | 61686 | 3618 |
<I/σ(I)> | 17.6 | 1.1 |
Completeness [%] | 97.5 | 78.8 |
Redundancy | 5.8 | 3.4 |
CC(1/2) | 1.000 | 0.512 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 278 | 30 % PEG 1000, 0.1 M MIB buffer pH 6.0 |