2V2F
Crystal structure of PBP1a from drug-resistant strain 5204 from Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 287 |
| Detector technology | CCD |
| Collection date | 2005-11-05 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.960, 67.030, 49.130 |
| Unit cell angles | 90.00, 100.89, 90.00 |
Refinement procedure
| Resolution | 19.740 - 1.900 |
| R-factor | 0.213 |
| Rwork | 0.210 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cw6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.465 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.700 | 2.060 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.120 | 0.370 |
| Number of reflections | 29802 | |
| <I/σ(I)> | 11.1 | 4 |
| Completeness [%] | 96.1 | 93.2 |
| Redundancy | 3.77 | 3.86 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.1M MES PH6, 21% PEG6000, 17MM BACL2 |
