1JGT
CRYSTAL STRUCTURE OF BETA-LACTAM SYNTHETASE
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-11-18 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.352, 97.873, 80.969 |
| Unit cell angles | 90.00, 90.78, 90.00 |
Refinement procedure
| Resolution | 20.000 * - 1.950 |
| R-factor | 0.194 |
| Rwork | 0.195 |
| R-free | 0.22800 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 * |
| RMSD bond angle | 1.300 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 * | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.062 * | 0.231 * |
| Total number of observations | 465261 * | |
| Number of reflections | 68300 | |
| <I/σ(I)> | 10.4 | |
| Completeness [%] | 98.3 * | 98.1 |
| Redundancy | 6.8 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 296 | Miller, M.T., (2001) Nature Struct. Biol., 8, 684. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | Tris | 50 (mM) | pH7.5 |
| 3 | 1 | reservoir | PEG4000 | 7 (%(w/v)) | |
| 4 | 1 | reservoir | 200 (mM) | ||
| 5 | 1 | reservoir | glycerol | 7 (%(v/v)) | |
| 6 | 1 | reservoir | Tris | 80 (mM) | pH8.0 |
