1NX8
Structure of carbapenem synthase (CarC) complexed with N-acetyl proline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.2 |
| Synchrotron site | SRS |
| Beamline | PX14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-01-30 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9780 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 80.443, 164.082, 146.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.650 - 2.300 |
| R-factor | 0.22991 |
| Rwork | 0.228 |
| R-free | 0.27500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nx4 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.725 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 * | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.064 | 0.235 |
| Total number of observations | 157442 * | |
| Number of reflections | 41822 * | |
| <I/σ(I)> | 7.5 | 3.2 |
| Completeness [%] | 97.0 | 98.6 |
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) |
