1TEM
6 ALPHA HYDROXYMETHYL PENICILLOIC ACID ACYLATED ON THE TEM-1 BETA-LACTAMASE FROM ESCHERICHIA COLI
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, Hamburg |
| Beamline | X31 |
| Temperature [K] | 263 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-12-15 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.100, 63.100, 88.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.950 |
| R-factor | 0.156 |
| Rwork | 0.156 |
| R-free | 0.20200 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.269 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.000 * | |
| High resolution limit [Å] | 1.950 * | 1.950 * |
| Rmerge | 0.046 | 0.076 * |
| Total number of observations | 42284 * | |
| Number of reflections | 17104 | 1524 * |
| Completeness [%] | 96.2 | 94.8 * |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.8 | 6 * | Jelsch, C., (1992) J. Mol. Biol., 223, 377. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | sodium phosphate | 60 (mM) | |
| 3 | 1 | drop | ammonium sulfate | 10 (%sat) | |
| 4 | 1 | reservoir | sodium phosphate | 60 (mM) | |
| 5 | 1 | reservoir | ammonium sulfate | 46 (%sat) | |
| 6 | 1 | reservoir | aceton | 4 (%) |
