6RLU
Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)cytidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2018-04-05 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.541790 |
Spacegroup name | H 3 2 |
Unit cell lengths | 178.357, 178.357, 246.688 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.570 - 1.880 |
R-factor | 0.169 |
Rwork | 0.169 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lsq |
RMSD bond length | 0.011 |
RMSD bond angle | 0.980 |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 96.380 | 96.380 | 1.990 |
High resolution limit [Å] | 1.880 | 5.960 | 1.880 |
Rmerge | 0.109 | 0.040 | 0.722 |
Rmeas | 0.115 | 0.042 | 0.758 |
Rpim | 0.035 | 0.013 | 0.229 |
Total number of observations | 1319265 | 42567 | 188992 |
Number of reflections | 121071 | 4025 | 17520 |
<I/σ(I)> | 15.5 | 39.6 | 3.4 |
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 10.9 | 10.6 | 10.8 |
CC(1/2) | 0.999 | 0.999 | 0.894 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Holo protein at 10 mg/mL in 10 mM Tris pH 7, 100 mM NaCl, 5 mM DTT, 5% (v/v) glycerol was mixed with 2.4 M sodium malonate pH 7.0, 100 mM Bis-tris propane pH 7.0 in a 2:1 (v/v) ratio. Suitable crystals were soaked with 2 mM 5'-O-(N-(L-seryl)-sulfamoyl)cytidine in t crystallization solution containing a 22% v/v glycerol. |