6AAQ
Crystal structure of Methanosarcina mazei PylRS(Y306A/Y384F) complexed with BCNLys
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32XU |
| Synchrotron site | SPring-8 |
| Beamline | BL32XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-07-13 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 101.981, 44.244, 72.660 |
| Unit cell angles | 90.00, 118.28, 90.00 |
Refinement procedure
| Resolution | 35.064 - 1.551 |
| R-factor | 0.1765 |
| Rwork | 0.175 |
| R-free | 0.19950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zim |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.232 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.590 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmeas | 0.130 | |
| Rpim | 0.046 | 0.159 |
| Number of reflections | 41555 | 2072 |
| <I/σ(I)> | 28.6 | |
| Completeness [%] | 99.8 | |
| Redundancy | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 281 | Tris-HCl (pH 8.5), PEG 200, KCl, MgCl2, sodium citrate |
