6AQG
Crystal Structure of Lysyl-tRNA Synthetase from Mycobacterium ulcerans complexed with L-lysine and Cladosporin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-08-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 1 |
Unit cell lengths | 94.120, 97.200, 105.830 |
Unit cell angles | 90.05, 104.28, 117.86 |
Refinement procedure
Resolution | 41.316 - 2.250 |
R-factor | 0.1536 |
Rwork | 0.153 |
R-free | 0.19490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5vl1 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.845 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.316 | 41.316 | 2.310 |
High resolution limit [Å] | 2.250 | 10.060 | 2.250 |
Rmerge | 0.059 | 0.035 | 0.563 |
Rmeas | 0.069 | 0.041 | 0.652 |
Number of reflections | 148550 | 1599 | 10892 |
<I/σ(I)> | 12.66 | 27.49 | 2.23 |
Completeness [%] | 98.3 | 94.4 | 97.5 |
Redundancy | 3.885 | 3.537 | 3.947 |
CC(1/2) | 0.998 | 0.997 | 0.804 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.1 | 290 | MyulA.00612.a.B1.PW37993 at 28 mg/ml was incubated with 3 mM L-Lysine and cladosporin, then mixed 1:1 with MorpheusCol12opt1 (h7): 0.1 M Tris base/ HCl, pH=9.1, 12.5% (w/v) PEG-1000, 16% (w/v) PEG-3350, 12.5% (v/v) MPD. Tray: 291151h7, puck: wer4-8 |