7E3Q
Crystal structure of SAH bound TrmL from Vibrio vulnificus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 11C |
| Synchrotron site | PAL/PLS |
| Beamline | 11C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-28 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97942 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 67.354, 67.354, 145.611 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.490 - 2.700 |
| R-factor | 0.1921 |
| Rwork | 0.189 |
| R-free | 0.25150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kdz |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.595 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
| Rmerge | 0.203 | 0.069 | 0.821 |
| Rmeas | 0.220 | 0.075 | 0.885 |
| Rpim | 0.081 | 0.029 | 0.328 |
| Total number of observations | 67737 | ||
| Number of reflections | 9778 | 562 | 463 |
| <I/σ(I)> | 2.9 | ||
| Completeness [%] | 99.6 | 96.4 | 99.8 |
| Redundancy | 6.9 | 6 | 7 |
| CC(1/2) | 0.995 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1M Tris-hydrochloride pH 8.5, 0.2M Magnesium chloride hexahydrate, 30% w/v PEG 4000, 40% v/v tert-Butano |
