1BUE
NMC-A CARBAPENEMASE FROM ENTEROBACTER CLOACAE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LURE BEAMLINE DW32 |
| Synchrotron site | LURE |
| Beamline | DW32 |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-05-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 78.690, 52.900, 67.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.000 - 1.640 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.21400 |
| Structure solution method | SIRAS |
| Starting model (for MR) | NOT APPLICABLE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 23.370 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | CCP4 |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.000 | 1.680 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.045 | |
| Total number of observations | 111487 * | |
| Number of reflections | 32762 | |
| <I/σ(I)> | 33.3 | 7.1 |
| Completeness [%] | 93.3 | 68 |
| Redundancy | 4.1 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.25 | 22 * | INITIAL PROTEIN CONCENTRATION WAS 2.0 G/L EQUILIBRATED AGAINST 0.200 M MES PH 5.25, 20% (W/V)PEG 1500, 6% (V/V) N-PROPANOL AT 295K. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2.0 (mg/ml) | |
| 2 | 1 | drop | MES | 45 (mM) | |
| 3 | 1 | drop | PEG1500 | 5 (%(w/v)) | |
| 4 | 1 | reservoir | MES | 200 (mM) | |
| 5 | 1 | reservoir | PEG1500 | 20 (%(w/v)) | |
| 6 | 1 | reservoir | n-propyl alcohol | 6 (%(v/v)) |
