3IJT
Structural Characterization of SMU.440, a Hypothetical Protein from Streptococcus mutans
Replaces: 2B79Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-10-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.095 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 93.400, 99.680, 45.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.078 - 2.377 |
| R-factor | 0.213 |
| Rwork | 0.211 |
| R-free | 0.25360 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.930 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.078 | 2.470 |
| High resolution limit [Å] | 2.377 | 2.377 |
| Number of reflections | 17129 | |
| <I/σ(I)> | 11.9 | 2.2 |
| Completeness [%] | 96.9 | 97 |
| Redundancy | 2.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 25% PEG 3350, 0.2M ammonium sulfate, 0.1M Tris-HCl pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
