6TF8
Structure of the engineered artificial aldolase I133F RA95.5-8F with a bound substrate, pentan-2-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-08-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.885, 102.316, 121.076 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.324 - 1.903 |
| R-factor | 0.2012 |
| Rwork | 0.200 |
| R-free | 0.24710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5aou |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.324 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.096 | 0.472 |
| Rmeas | 0.523 | |
| Number of reflections | 73792 | 11411 |
| <I/σ(I)> | 13.1 | 3.22 |
| Completeness [%] | 99.2 | 96.1 |
| Redundancy | 6.5 | 5.35 |
| CC(1/2) | 0.611 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION, RECRYSTALLIZATION | 298 | 0.2 M NH4CL, 20% PEG3350 |
