6HPA
Crystal structure of a BA3943 mutant,a CE4 family pseudoenzyme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 124 |
Detector technology | PIXEL |
Collection date | 2016-03-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.072710 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.210, 58.816, 78.883 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.441 - 1.554 |
R-factor | 0.1662 |
Rwork | 0.165 |
R-free | 0.19950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | BC1960 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.779 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.883 | 1.559 |
High resolution limit [Å] | 1.554 | 1.554 |
Rmerge | 0.108 | |
Rmeas | 0.114 | |
Rpim | 0.032 | |
Number of reflections | 38119 | 4864 |
<I/σ(I)> | 8 | 0.6 |
Completeness [%] | 97.6 | |
Redundancy | 12.538 | |
CC(1/2) | 0.997 | 0.798 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | Ammonium Sulphate 2.8 M Tris Buffer PH=8 |