8QNF
Crystal structure of the Condensation domain TomBC from the Tomaymycin non-ribosomal peptide synthetase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976250 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 121.650, 160.060, 163.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.940 - 1.650 |
| R-factor | 0.1781 |
| Rwork | 0.177 |
| R-free | 0.19680 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.418 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.940 | 1.700 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 81329 | 2759 |
| <I/σ(I)> | 12.43 | 2.01 |
| Completeness [%] | 85.0 | |
| Redundancy | 4.9 | |
| CC(1/2) | 0.997 | 0.694 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | Protein (stored in 50mM Kpi, 150 mM NaCl, pH 7.0) crystallised at 30mg/mL at 4 degC in 100 mM Tris pH 8.5, 3.5 M NaFormate 25% glycerol used as cryoprotectant. |
