4CDL
Crystal Structure of Retro-aldolase RA110.4-6 Complexed with Inhibitor 1-(6-methoxy-2-naphthalenyl)-1,3-butanedione
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 | 2011-02-12 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 51.580, 51.580, 198.640 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.670 - 2.500 |
| R-factor | 0.231 |
| Rwork | 0.228 |
| R-free | 0.29730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oho |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.658 |
| 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] | 44.700 | 2.550 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.080 | 1.080 |
| Number of reflections | 6014 | |
| <I/σ(I)> | 35.8 | 4.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 25.5 | 27.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 50 MM SODIUM ACETATE PH 4.5, 1 M NACL, 45% V/V PEG400 |
