2C1G
Structure of Streptococcus pneumoniae peptidoglycan deacetylase (SpPgdA)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-12 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.529, 78.439, 99.515 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.960 - 1.750 |
| R-factor | 0.211 |
| Rwork | 0.211 |
| R-free | 0.24200 |
| Structure solution method | MAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL |
| Data scaling software | HKL |
| Phasing software | SHELX |
| Refinement software | CNS (1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.050 | 0.460 |
| Number of reflections | 44323 | |
| <I/σ(I)> | 15.1 | 2.8 |
| Completeness [%] | 99.0 | 98 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | PROTEIN WAS CRYSTALLIZED FROM 35% PEG 200, 5% PEG 3000, 100 MM MES, PH 6; THEN SOAKED IN 10 MM ZNCL2. |
