1PZO
TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor
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 | 2003-03-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97014 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 41.887, 61.038, 88.683 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.1934 |
| Rwork | 0.191 |
| R-free | 0.24700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.940 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.80) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.090 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.079 | 0.408 * |
| Number of reflections | 17299 | |
| <I/σ(I)> | 6.9 | 3.5 |
| Completeness [%] | 98.5 * | 99.7 |
| Redundancy | 5.5 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | other * | 8 * | 295 | Wang, X., (2002) J.Mol.Biol., 320, 85. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | sodium phosphate | 1.5 (M) | pH8.0 |
