9ENT
SSX structure of Autotaxin in cryogenic conditions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 300 |
Detector technology | PIXEL |
Collection date | 2020-10-29 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.8731 |
Spacegroup name | P 1 |
Unit cell lengths | 53.510, 61.190, 65.010 |
Unit cell angles | 102.57, 99.13, 93.67 |
Refinement procedure
Resolution | 37.510 - 2.200 |
R-factor | 0.1959 |
Rwork | 0.194 |
R-free | 0.23570 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.643 |
Data reduction software | CrystFEL (v.0.10.1) |
Data scaling software | CrystFEL (v.0.10.1) |
Phasing software | PHENIX (1.19.2_4158) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.510 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 270477 | 401043 |
<I/σ(I)> | 44.5 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.77 | |
CC(1/2) | 0.950 | 0.960 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 303 | 18-22% (m/v) PEG3350, 0.1-0.3 M NH4I and 0.1-0.3 M NaSCN |