4CCW
Crystal structure of naproxen esterase (carboxylesterase NP) from Bacillus subtilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-07-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 46.987, 46.987, 212.461 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.970 - 1.750 |
| R-factor | 0.22895 |
| Rwork | 0.227 |
| R-free | 0.26678 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1ZOI 1iun 1c4x |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.173 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.060 | 0.200 |
| Number of reflections | 28534 | |
| <I/σ(I)> | 21.4 | 5.4 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 8 | LIQUID-LIQUID DIFFUSION WITH 80% PEG6000, 0.1 M TRIS PH 8.0 |
