1KYI
HslUV (H. influenzae)-NLVS Vinyl Sulfone Inhibitor Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-04-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.965 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 208.510, 219.970, 242.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.100 |
| R-factor | 0.266 * |
| Rwork | 0.266 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g3i |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.460 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.150 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.064 * | 0.285 * |
| Total number of observations | 675855 * | |
| Number of reflections | 185090 | |
| <I/σ(I)> | 16.1 | 3.7 |
| Completeness [%] | 92.9 | 87.8 |
| Redundancy | 3.7 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 4 * | Sousa, M.C., (2000) Cell (Cambridge,Mass.), 103, 633. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5-20 (mg/ml) | |
| 2 | 1 | drop | MOPS | 10 (mM) | |
| 3 | 1 | drop | 1 (mM) | ||
| 4 | 1 | drop | ATP | 1 (mM) | |
| 5 | 1 | reservoir | PEG2000MME | 3-6 (%) | |
| 6 | 1 | reservoir | 1 (M) | ||
| 7 | 1 | reservoir | 10 (mM) | ||
| 8 | 1 | reservoir | citrate | 50 (mM) |
