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 |