8KE1
PylRS C-terminus domain mutant bound with L-3-bromophenylalanine and AMPNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL15A1 |
Synchrotron site | NSRRC |
Beamline | BL15A1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2017-03-27 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1 |
Spacegroup name | P 64 |
Unit cell lengths | 104.959, 104.959, 71.114 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.005 - 2.501 |
R-factor | 0.171149091037 |
Rwork | 0.167 |
R-free | 0.20709 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zce |
RMSD bond length | 0.009 |
RMSD bond angle | 1.143 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.11.1_2575) |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.005 | 28.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmeas | 0.078 | 0.037 | 0.318 |
Rpim | 0.028 | 0.014 | 0.115 |
Number of reflections | 15531 | 1605 | 1527 |
<I/σ(I)> | 39.68 | ||
Completeness [%] | 100.0 | ||
Redundancy | 7.6 | ||
CC(1/2) | 0.999 | 0.960 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100 mM HEPES buffer pH 7.5, 10% PEG 8000, 10% Ethylene Glycerol |