7C9M
The structure of product-bound CntL, an aminobutyrate transferase in staphylopine biosynthesis
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 | 2019-11-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.519, 96.684, 211.428 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.900 - 2.700 |
| R-factor | 0.24423 |
| Rwork | 0.242 |
| R-free | 0.28500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7c7m |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.771 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.065 | 0.610 |
| Number of reflections | 34032 | 3435 |
| <I/σ(I)> | 31.9 | 1.88 |
| Completeness [%] | 96.8 | 99.4 |
| Redundancy | 6.2 | 6.1 |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.3 M Magnesium formate dihydrate, 26% PEG 3350 |
