4C2G
Crystal structure of CtpB(S309A) in complex with a peptide having a Val-Pro-Ala C-terminus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 118.712, 118.712, 72.364 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.2035 |
| Rwork | 0.203 |
| R-free | 0.22550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4c2c |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.310 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.810 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.030 | 0.700 |
| Number of reflections | 45714 | |
| <I/σ(I)> | 23.4 | 1.8 |
| Completeness [%] | 98.5 | 97.5 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 2.1 M NA-MALONATE PH 7.8 |
