29UR
KAT6A SURFACE MUTANT IN COMPLEX WITH INHIBITOR WM-8014
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.212, 57.620, 62.541 |
| Unit cell angles | 94.07, 90.34, 103.22 |
Refinement procedure
| Resolution | 43.270 - 2.784 |
| Rwork | 0.278 |
| R-free | 0.32860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.149 |
| Data reduction software | XDS (VERSION Jan 26, 2018 BUILT=20180126) |
| Data scaling software | pointless (version 1.11.8) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.270 | 2.950 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Rmeas | 0.156 | 1.283 |
| Number of reflections | 11480 | 1740 |
| <I/σ(I)> | 7.5 | 0.99 |
| Completeness [%] | 93.5 | 90 |
| Redundancy | 3.6 | 3.4 |
| CC(1/2) | 0.993 | 0.651 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | PEG 3350, sodium acetate, HEPES; glycerol as cryo protectant |
