5NX8
Crystal structure of Neanderthal Adenylosuccinate Lyase (ADSL)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.390, 104.880, 215.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.960 - 1.700 |
| R-factor | 0.17343 |
| Rwork | 0.171 |
| R-free | 0.21493 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j91 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.496 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmeas | 0.116 | 1.300 |
| Number of reflections | 211102 | 30633 |
| <I/σ(I)> | 9.8 | 1.2 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 4.6 | 4.7 |
| CC(1/2) | 0.998 | 0.420 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 19-21% PEG6000, 0.1 M Tris pH 8 |
