6GJK
A degradation product of PD 404182 (P2742) bound to Histone Deacetylase-like Amidohydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99988 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 100.680, 100.680, 175.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.770 - 1.470 |
| R-factor | 0.14591 |
| Rwork | 0.144 |
| R-free | 0.17446 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5g1a |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.462 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.770 | 1.500 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.146 | |
| Rpim | 0.060 | 0.409 |
| Number of reflections | 152110 | |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13.1 | |
| CC(1/2) | 0.996 | 0.791 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.25 | 293 | 0.1 M Malate-Imidazole buffer pH 5.25, 4 % PEG400 |
