6BYA
Crystal structure of LdBPK_091320 with inhibitor bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97860 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 82.615, 82.615, 177.235 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.370 - 2.260 |
R-factor | 0.197 |
Rwork | 0.195 |
R-free | 0.23900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tcm |
RMSD bond length | 0.010 |
RMSD bond angle | 0.960 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.300 |
High resolution limit [Å] | 2.260 | 6.130 | 2.260 |
Rmerge | 0.112 | 0.063 | 0.902 |
Rmeas | 0.123 | 0.070 | 0.994 |
Rpim | 0.050 | 0.029 | 0.409 |
Total number of observations | 166490 | ||
Number of reflections | 29431 | 1606 | 1452 |
<I/σ(I)> | 5.9 | ||
Completeness [%] | 99.4 | 95.6 | 99.6 |
Redundancy | 5.7 | 5.3 | 5.7 |
CC(1/2) | 0.995 | 0.718 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 2.64 M NaFormate and 0.1M Tris 8.0 |