1PI4
Structure of N289A mutant of AmpC in complex with SM3, a phenylglyclboronic acid bearing the cephalothin R1 side chain
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 | 2002-12-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.628, 76.104, 97.836 |
| Unit cell angles | 90.00, 115.61, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.390 |
| Rwork | 0.159 |
| R-free | 0.17300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mxo |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.710 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.440 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmerge | 0.058 | 0.134 |
| Total number of observations | 903131 * | |
| Number of reflections | 156947 | 15495 * |
| <I/σ(I)> | 29 | 10.4 |
| Completeness [%] | 99.4 | 98.3 |
| Redundancy | 5.8 | 3.7 |
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 | 3.8 (mg/ml) | |
| 3 | 1 | drop | DMSO | 1.2 (%) | |
| 4 | 1 | drop | potassium phosphate | 1 (M) | pH8.7 |
