3ALT
Crystal structure of CEL-IV complexed with Melibiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2005-02-07 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.988, 78.504, 102.898 |
| Unit cell angles | 90.00, 98.41, 90.00 |
Refinement procedure
| Resolution | 38.060 - 2.500 |
| R-factor | 0.2316 |
| Rwork | 0.229 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wmy |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.737 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.900 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.109 | 0.275 |
| Number of reflections | 22552 | |
| <I/σ(I)> | 30.2 | 7 |
| Completeness [%] | 95.6 | 92.4 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M HEPES, 4.3M NaCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
