3PUH
Cocaine Esterase, wild-type biologically active dimer
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-02-16 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.345, 105.442, 224.518 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.300 |
| R-factor | 0.21 |
| Rwork | 0.208 |
| R-free | 0.24920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.384 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (1.3.3) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.940 | 2.300 |
| Rmerge | 0.134 | 0.058 | 0.610 |
| Number of reflections | 78491 | ||
| <I/σ(I)> | 6.7 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 7.9 | 7.8 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 20% PEG 3350, 100 mM MES pH 6.0, 1 M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
