4PCF
Structure-based protein engineering of a monomeric triosephosphate isomerase towards changing substrate specificity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-14 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 92.920, 49.420, 95.510 |
| Unit cell angles | 90.00, 118.50, 90.00 |
Refinement procedure
| Resolution | 83.940 - 2.710 |
| R-factor | 0.23735 |
| Rwork | 0.235 |
| R-free | 0.28320 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.481 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.940 | 2.730 |
| High resolution limit [Å] | 2.710 | 2.710 |
| Number of reflections | 19927 | |
| <I/σ(I)> | 12.46 | 2.49 |
| Completeness [%] | 99.5 | 56.3 |
| Redundancy | 6.96 | 1.23 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.2 | 295 | 1.75M (NH4)2HPO4, |
