3LCE
Crystal Structure of Oxa-10 Beta-Lactamase Covalently Bound to Cyclobutanone Beta-Lactam Mimic
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-12-16 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.700, 82.544, 102.360 |
| Unit cell angles | 90.00, 94.63, 90.00 |
Refinement procedure
| Resolution | 102.060 - 2.000 |
| R-factor | 0.181 |
| Rwork | 0.178 |
| R-free | 0.23300 |
| Structure solution method | REFMAC rigid body refinement |
| Starting model (for MR) | 1e4d |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.780 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | REFMAC (5.5.0066) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.062 | 2.120 |
| High resolution limit [Å] | 1.917 | 2.000 |
| Rmerge | 0.082 | 0.350 |
| Total number of observations | 36298 | |
| Number of reflections | 84571 | |
| <I/σ(I)> | 13.9 | 2.2 |
| Completeness [%] | 97.3 | 99.3 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 1.4 M sodium potassium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
