4IVK
Crystal structure of a fammily VIII carboxylesterase in a complex with cephalothin.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-19 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.98000 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 149.102, 149.102, 172.571 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.030 - 1.800 |
| R-factor | 0.16243 |
| Rwork | 0.161 |
| R-free | 0.18216 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ivi |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.139 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.800 |
| Number of reflections | 89398 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8.5 | 295 | 2.2 M ammonium sulfate and 0.1 M Tris-HCl (pH 8.5), microbatch, temperature 295KK |
