3ALU
Crystal structure of CEL-IV complexed with Raffinose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2007-11-02 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.808, 78.159, 102.883 |
| Unit cell angles | 90.00, 96.82, 90.00 |
Refinement procedure
| Resolution | 40.160 - 1.650 |
| R-factor | 0.16663 |
| Rwork | 0.165 |
| R-free | 0.20250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wmy |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.644 |
| 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] | 102.200 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.049 | 0.336 |
| Number of reflections | 74625 | |
| <I/σ(I)> | 29.4 | 2.8 |
| Completeness [%] | 95.2 | 89.6 |
| Redundancy | 3.6 | 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 |
