4BWA
PylRS Y306G, Y384F, I405R mutant in complex with adenylated norbornene
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 64 |
| Unit cell lengths | 104.800, 104.800, 72.860 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.420 - 2.450 |
| R-factor | 0.18441 |
| Rwork | 0.183 |
| R-free | 0.21369 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bw9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.475 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.380 | 2.640 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.060 | 0.580 |
| Number of reflections | 17790 | |
| <I/σ(I)> | 30.4 | 4.9 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 10.7 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1 M SODIUM ACETATE, 15% PEG3350 |
