4A2R
Structure of the engineered retro-aldolase RA95.5-5
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 | 2010-07-15 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 53.880, 53.880, 148.610 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 7.981 - 1.302 |
| R-factor | 0.1394 |
| Rwork | 0.138 |
| R-free | 0.16500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lbl |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 150.000 | 1.340 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.020 | 0.660 |
| Number of reflections | 61079 | |
| <I/σ(I)> | 21.6 | 2.08 |
| Completeness [%] | 98.1 | 90.5 |
| Redundancy | 3.4 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 301 | 0.1 M TRIS PH 8.5, 0.2 M NA2HPO4, 23% W/V PEG3350, 28 DEGREES CELSIUS. |
