2HQ0
Structure of RafE from Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9760 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.754, 77.700, 79.226 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.130 - 1.400 |
| R-factor | 0.163 |
| Rwork | 0.161 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hfb |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.023 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.5L) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.190 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.043 | 0.362 |
| Total number of observations | 23093 | |
| Number of reflections | 89237 | |
| <I/σ(I)> | 11.5 | 2.5 |
| Completeness [%] | 99.0 | 97 |
| Redundancy | 3.84 | 2.67 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.8 | 295 | 2.8M (NaH2/K2H)PO4 0.1M Na acetate pH 3.8, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
