5V01
Crystal structure of the competence damage-inducible protein A (ComA) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-08-17 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.07822 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.452, 90.433, 44.126 |
| Unit cell angles | 90.00, 103.75, 90.00 |
Refinement procedure
| Resolution | 45.220 - 1.300 |
| R-factor | 0.12553 |
| Rwork | 0.124 |
| R-free | 0.16073 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2a9s |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.450 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.310 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.062 | 0.876 |
| Rpim | 0.025 | 0.447 |
| Number of reflections | 70520 | 1759 |
| <I/σ(I)> | 29.1 | 1.9 |
| Completeness [%] | 97.7 | 99.3 |
| Redundancy | 6.3 | 4.5 |
| CC(1/2) | 1.000 | 0.653 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 293 | 0.2 M NaCl, 0.1 M Ph-Citrate pH4.2, 20% PEG8K |
