4LGO
Crystal Structure of N-terminal domain 1 of VompD from Bartonella quintana
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-05 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 120.030, 37.110, 109.780 |
| Unit cell angles | 90.00, 119.43, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.700 |
| R-factor | 0.1679 |
| Rwork | 0.167 |
| R-free | 0.18830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d9x |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.376 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.740 | |
| High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
| Rmerge | 0.036 | 0.018 | 0.481 |
| Number of reflections | 46707 | 526 | 3446 |
| <I/σ(I)> | 20.83 | 53.02 | 2.72 |
| Completeness [%] | 99.4 | 89.8 | 99.8 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 289 | Wizard3/4_b12: 2M Ammonium Sulfate, 0.1M Sodium Acetate/HCl, pH=4.6, VAPOR DIFFUSION, temperature 289K |
