4HMQ
Crystal structure of streptococcus pneumoniae TIGR4 PiaA in complex with ferrichrome
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91940 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.102, 84.272, 93.776 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.860 - 2.100 |
| R-factor | 0.20204 |
| Rwork | 0.200 |
| R-free | 0.24804 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.850 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.212 | |
| Number of reflections | 33208 | |
| <I/σ(I)> | 5.151 | |
| Completeness [%] | 96.6 | 97.7 |
| Redundancy | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.2 | 289 | 30% PEG400, 0.1M NaAc, 0.1M CdCl2, pH 5.2, VAPOR DIFFUSION, temperature 289K |
