3K4W
CRYSTAL STRUCTURE OF Uncharacterized Tim-Barrel Protein Bb4693 From Bordetella Bronchiseptica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-06 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.923, 248.768, 90.618 |
| Unit cell angles | 90.00, 104.92, 90.00 |
Refinement procedure
| Resolution | 25.970 - 1.920 |
| R-factor | 0.194 |
| Rwork | 0.191 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.936 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.977 | 2.020 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.201 | 0.020 |
| Number of reflections | 270144 | |
| <I/σ(I)> | 5.2 | 0.3 |
| Completeness [%] | 98.1 | 94.1 |
| Redundancy | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 298 | 30% PEG 4000, 0.1 M Na-citrate, 0.2 M ammonium acetate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
