1GA9
CRYSTAL STRUCTURE OF AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH NON-BETA-LACTAMASE INHIBITOR (2, 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID)
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 | 2000-05-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.990, 78.060, 97.790 |
| Unit cell angles | 90.00, 115.53, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.206 * |
| Rwork | 0.206 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c3b |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.650 |
| 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 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.073 | 0.179 |
| Total number of observations | 156406 * | |
| Number of reflections | 42312 * | |
| <I/σ(I)> | 25.2 | |
| Completeness [%] | 89.8 | 96 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 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) | |
| 2 | 1 | drop | protein | 0.095 (mM) | |
| 3 | 1 | drop | inhibitor | 0.600 (mM) | |
| 4 | 1 | drop | DMSO | 2 (%) | |
| 5 | 1 | drop | potassium phosphate | 1.7 (M) |
