2WKW
Alcaligenes esterase complexed with product analogue
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 | 1998-07-04 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.597, 115.811, 131.144 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.500 - 2.030 |
| R-factor | 0.157 |
| Rwork | 0.155 |
| R-free | 0.19430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qlw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.242 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.060 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.080 | 0.250 |
| Number of reflections | 57445 | |
| <I/σ(I)> | 14.8 | 5.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.3 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 30% (NH4)2SO4, 10 MM TRIS HCL, PH 7.0 |
