4A29
Structure of the engineered retro-aldolase RA95.0
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 | 2011-02-04 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.940, 62.590, 79.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.980 - 1.100 |
| R-factor | 0.12 |
| Rwork | 0.120 |
| R-free | 0.13700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lbl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.297 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.130 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.020 | 0.240 |
| Number of reflections | 101040 | |
| <I/σ(I)> | 34.14 | 4.21 |
| Completeness [%] | 91.8 | 57.3 |
| Redundancy | 4.1 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 301 | 0.2 M DL-MALIC ACID PH 7.0, 20% W/V PEG 3350, 28 DEGREES CELSIUS. |
