6AIK
Cab2 mutant H337A complex with phosphopantothenoyl-CMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-24 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.758, 112.513, 55.831 |
| Unit cell angles | 90.00, 91.56, 90.00 |
Refinement procedure
| Resolution | 56.260 - 1.830 |
| R-factor | 0.1799 |
| Rwork | 0.178 |
| R-free | 0.21860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1p9o |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.260 | 1.880 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.084 | 0.926 |
| Rmeas | 0.094 | |
| Rpim | 0.041 | 0.488 |
| Number of reflections | 54950 | 2714 |
| <I/σ(I)> | 13.2 | |
| Completeness [%] | 98.7 | 97.9 |
| Redundancy | 4.8 | 4.1 |
| CC(1/2) | 0.711 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 287 | 200mM potassium sodium tartrate 20% PEG3350 2mM MnCl2 |
