4A2S
Structure of the engineered retro-aldolase RA95.5
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 | 2010-09-14 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.810, 62.810, 93.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.998 - 1.400 |
| R-factor | 0.1328 |
| Rwork | 0.132 |
| R-free | 0.16160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lbl |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.546 |
| 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 | 1.440 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.020 | 0.870 |
| Number of reflections | 62630 | |
| <I/σ(I)> | 31.12 | 2.45 |
| Completeness [%] | 99.3 | 95.1 |
| Redundancy | 6.5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 301 | 0.1 M HEPES KOH PH 7.6, 23% W/V PEG 3350,20 MM NA2HPO4, 28 DEG. CELSIUS. |
