7AT2
Crystal structure of inactive EstD11 S144A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.072 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.190, 80.137, 144.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.770 - 1.440 |
R-factor | 0.1764 |
Rwork | 0.176 |
R-free | 0.18780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xvc |
RMSD bond length | 0.006 |
RMSD bond angle | 1.325 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.310 | 1.460 |
High resolution limit [Å] | 1.440 | 1.440 |
Rmerge | 0.082 | 0.703 |
Rpim | 0.037 | 0.325 |
Number of reflections | 101766 | 5003 |
<I/σ(I)> | 12.2 | 2.5 |
Completeness [%] | 99.4 | 99.9 |
Redundancy | 5.7 | 5.6 |
CC(1/2) | 0.998 | 0.713 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 291 | 3.2M Sodium formate + 0.1M citrate pH 5 |