1Q19
Carbapenam Synthetase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-05-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0024 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.042, 61.951, 175.870 |
| Unit cell angles | 90.00, 97.01, 90.00 |
Refinement procedure
| Resolution | 50.000 * - 2.400 |
| R-factor | 0.27 |
| Rwork | 0.220 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q15 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 * | 2.530 |
| High resolution limit [Å] | 2.400 * | 2.400 |
| Rmerge | 0.084 * | 0.368 * |
| Total number of observations | 294337 * | |
| Number of reflections | 86108 * | |
| <I/σ(I)> | 7.9 | 2 |
| Completeness [%] | 99.2 | 98.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.5 * | 4 * | 23-26 % (w/v) PEG 4000, 100 mM Na citrate, pH 5.6, 210-250 mM ammonium acetate, and 100 mM cesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris | 50 (mM) | pH7.5 |
| 2 | 1 | drop | 100 (mM) | ||
| 3 | 1 | drop | protein | 0.4 (ml/min) | |
| 4 | 1 | reservoir | PEG3350 | 30 (%(w/v)) | |
| 5 | 1 | reservoir | glycerol | 15 (%(v/v)) | |
| 6 | 1 | reservoir | sodium citrate | 100 (mM) | pH5.3 |
