1PZP
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 | 41.553, 60.673, 89.092 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 * - 1.470* |
R-factor | 0.20313 |
Rwork | 0.201 |
R-free | 0.23400 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.019 * |
RMSD bond angle | 1.890 * |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 * | 1.530 |
High resolution limit [Å] | 1.470 * | 1.470 * |
Rmerge | 0.060 | 0.444 |
Number of reflections | 38464 * | |
<I/σ(I)> | 5.77 | 1.6 |
Completeness [%] | 99.5 * | 99.8 |
Redundancy | 4.9 | 3.5 |
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 |