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 |