2HEU
Atomic resolution structure of apo-form 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) | 0.9393 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.219, 129.315, 119.420 |
| Unit cell angles | 90.00, 94.21, 90.00 |
Refinement procedure
| Resolution | 19.820 - 1.040 |
| R-factor | 0.131 |
| Rwork | 0.130 |
| R-free | 0.15700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.323 |
| Data scaling software | d*TREK (9.5L) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.820 | 1.080 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.062 | 0.360 |
| Total number of observations | 162181 | |
| Number of reflections | 543433 | |
| <I/σ(I)> | 9.8 | 2.7 |
| Completeness [%] | 97.6 | 94.2 |
| Redundancy | 4.12 | 3.09 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 30% (w/v) PEG 4000, 0.1M Tris.HCl, 0.05M CaCl2, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
