5ZZO
Crystal structure of CcpE regulatory domain in complex with citrate from Staphyloccocus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-11-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9826 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 104.788, 111.658, 152.971 |
| Unit cell angles | 90.00, 95.14, 90.00 |
Refinement procedure
| Resolution | 31.889 - 2.500 |
| R-factor | 0.1989 |
| Rwork | 0.198 |
| R-free | 0.24870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qba |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.466 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 118067 | 5336 |
| <I/σ(I)> | 25.02 | 1.78 |
| Completeness [%] | 93.2 | 83.9 |
| Redundancy | 4.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 287 | 4M sodium formate, 10mM sodium citrate |
