3B5L
Crystal Structure of a Novel Engineered Retroaldolase: RA-61
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-10-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 39.190, 66.060, 66.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.710 - 1.800 |
| R-factor | 0.206 |
| Rwork | 0.203 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | TRUNCATED 1m4w |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.069 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK (9.7 W8RSSI) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.730 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.059 | 0.220 |
| Total number of observations | 3300 | |
| Number of reflections | 16082 | |
| <I/σ(I)> | 12 | 3.1 |
| Completeness [%] | 97.5 | 83.3 |
| Redundancy | 3.49 | 2.45 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 1.9M Ammonium Sulfate, 0.1M MES pH 6.5, 5% v/v PEG400, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
