1MWR
Structure of SeMet Penicillin binding protein 2a from methicillin resistant Staphylococcus aureus strain 27r (trigonal form) at 2.45 A resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-01-25 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 141.060, 141.060, 146.671 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.000 * - 2.450 |
| R-factor | 0.27 |
| Rwork | 0.270 |
| R-free | 0.32300 * |
| RMSD bond length | 0.008 |
| RMSD bond angle | 23.100 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 * | 2.500 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.044 * | 0.364 * |
| Number of reflections | 61048 | |
| <I/σ(I)> | 21.7 | 2.9 |
| Completeness [%] | 98.0 | 95.5 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 18 * | CdCl2, PEG550MME, HEPES, NaCl, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | 0.1 (M) | ||
| 3 | 1 | reservoir | PEG550 MME | 20 (%(v/v)) | |
| 4 | 1 | reservoir | 0.95 (M) | ||
| 5 | 1 | reservoir | HEPES | 100 (mM) | pH7. |
| 6 | 1 | reservoir | 16 (mM) |
