2W79
Establishing wild-type levels of catalytic activity on natural and artificial (ba)8-barrel protein scaffolds
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.000, 64.100, 79.200 |
Unit cell angles | 90.00, 94.00, 90.00 |
Refinement procedure
Resolution | 33.630 - 1.850 |
R-factor | 0.206 |
Rwork | 0.202 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qo2 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.319 |
Data reduction software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.960 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.050 | 0.540 |
Number of reflections | 42406 | |
<I/σ(I)> | 13.4 | 2.5 |
Completeness [%] | 98.9 | 97.5 |
Redundancy | 3.7 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1 M TRIS-HCL PH 7.5, 25% PEG 3350 |