3ALS
Crystal structure of CEL-IV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2007-10-12 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 65 |
| Unit cell lengths | 86.065, 86.065, 375.321 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.030 - 3.000 |
| R-factor | 0.1966 |
| Rwork | 0.196 |
| R-free | 0.21475 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wmy |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.129 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.900 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.077 | 0.298 |
| Number of reflections | 31417 | |
| <I/σ(I)> | 29.4 | 8.6 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 11.4 | 11.1 |
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 |
