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 |