5N5V
Structure of p-boronophenylalanyl tRNA synthetase - apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.3 |
Synchrotron site | BESSY |
Beamline | 14.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-29 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8943 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.001, 94.008, 286.566 |
Unit cell angles | 90.00, 90.02, 90.00 |
Refinement procedure
Resolution | 34.910 - 2.300 |
R-factor | 0.2138 |
Rwork | 0.212 |
R-free | 0.24410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5n5u |
RMSD bond length | 0.014 |
RMSD bond angle | 1.705 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.6.1) |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.910 | 34.910 | 2.400 |
High resolution limit [Å] | 2.300 | 10.000 | 2.300 |
Rmerge | 0.196 | 0.047 | 0.935 |
Rmeas | 0.213 | 0.051 | 1.012 |
Total number of observations | 850976 | ||
Number of reflections | 124992 | 1576 | 14885 |
<I/σ(I)> | 8.99 | 30.55 | 2.03 |
Completeness [%] | 99.9 | 97 | 100 |
Redundancy | 6.808 | 5.961 | 6.865 |
CC(1/2) | 0.990 | 0.998 | 0.602 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 16 % (w/v) PEG 4000, 0.2 M MgCl2, 0.1 M Tris/HCl |