1NX4
The crystal structure of carbapenem synthase (CarC)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-01-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9785, 0.9790, 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.930, 163.946, 146.455 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.650 - 2.400 |
| R-factor | 0.22317 |
| Rwork | 0.221 |
| R-free | 0.26800 * |
| Structure solution method | MAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.887 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.063 | 0.291 |
| Total number of observations | 173615 * | |
| Number of reflections | 37852 | |
| <I/σ(I)> | 9.9 | 2.5 |
| Completeness [%] | 99.7 | 99.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | PEG 8000, ammonium acetate, isopropanol, Tris, iron sulphate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | CarC | 24 (mg/ml) | |
| 2 | 1 | drop | 2OG | 10 (mM) | |
| 3 | 1 | drop | 5 (mM) | ||
| 4 | 1 | reservoir | PEG8000 | 4 (%(w/v)) | |
| 5 | 1 | reservoir | 400 (mM) | ||
| 6 | 1 | reservoir | i-PrOH | 10 (%(w/v)) | |
| 7 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.5 |
| 8 | 1 | reservoir | 5 (mM) | ||
| 9 | 1 | reservoir | dipotassium 2OG | 10 (mM) |
