1KE0
X-ray crystal structure of AmpC beta-lactamase from E. coli in complex with the inhibitor 4-(carboxyvin-2-yl)phenylboronic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 103 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-04-20 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.620, 77.430, 97.370 |
| Unit cell angles | 90.00, 115.32, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| Rwork | 0.199 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c3b |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.350 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.075 | 0.238 |
| Total number of observations | 63591 * | |
| Number of reflections | 33436 | |
| <I/σ(I)> | 12.2 | 3.9 |
| Completeness [%] | 94.2 | 96.6 |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 23 * | used microseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | potassium phosphate | 1.7 (M) | pH8.7 |
| 2 | 1 | drop | protein | 0.095 (mM) | |
| 3 | 1 | drop | DMSO | 2 (%) | |
| 4 | 1 | drop | potassium phosphate | 1.7 (M) | pH8.7 |
