2XD5
Structural insights into the catalytic mechanism and the role of Streptococcus pneumoniae PBP1b
Replaces: 2JCIExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 96.800, 101.100, 145.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.050 - 2.500 |
| R-factor | 0.184 |
| Rwork | 0.181 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bg1 |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.182 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.910 | 2.700 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.220 | 0.050 |
| Number of reflections | 49863 | |
| <I/σ(I)> | 11.46 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.7 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 50 MM HEPES, 3.2 M NACL, 0.8 M AMMONIUM SULFATE, pH 7 |
