2WK0
Crystal structure of the class A beta-lactamase BS3 inhibited by 6- beta-iodopenicillanate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 293 |
| Collection date | 2000-11-19 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.988, 104.479, 63.740 |
| Unit cell angles | 90.00, 94.07, 90.00 |
Refinement procedure
| Resolution | 17.700 - 1.650 |
| R-factor | 0.19006 |
| Rwork | 0.189 |
| R-free | 0.21140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b3x |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.313 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.000 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.060 | 0.500 |
| Number of reflections | 72436 | |
| <I/σ(I)> | 14.7 | 2.5 |
| Completeness [%] | 98.3 | 97.3 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.4 | pH 3.4 |
