1I5Q
CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE MUTANT N152A COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-08-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.661, 77.267, 97.677 |
| Unit cell angles | 90.00, 116.75, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.830 |
| R-factor | 0.168 * |
| Rwork | 0.168 |
| R-free | 0.20560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1C3B with inhibitor solvent and N152 sidechain atoms (beyond C-beta) removed |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.720 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.870 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.051 | 0.409 |
| Total number of observations | 274720 * | |
| Number of reflections | 68795 * | |
| <I/σ(I)> | 22.08 | 1.69 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 23 * | potassium phosphate, AmpC N152A, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | potassium phosphate | 1.7 (M) |
