4CS3
Catalytic domain of Pyrrolysyl-tRNA synthetase mutant Y306A, Y384F in complex with an adenylated furan-bearing noncanonical amino acid and pyrophosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-06 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.335, 44.345, 64.165 |
| Unit cell angles | 90.00, 99.85, 90.00 |
Refinement procedure
| Resolution | 36.489 - 1.499 |
| R-factor | 0.1565 |
| Rwork | 0.155 |
| R-free | 0.18490 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.342 |
| Data reduction software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.490 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.040 | 0.990 |
| Number of reflections | 45483 | |
| <I/σ(I)> | 16.12 | 1.19 |
| Completeness [%] | 99.4 | 98.6 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 50 MM TRIS-HCL PH 8.5, 200 MM CALCIUM CHLORIDE, 18 % (W/V) PEG4000 |
