1R1C
PSEUDOMONAS AERUGINOSA W48F/Y72F/H83Q/Y108W-AZURIN RE(PHEN)(CO)3(HIS107)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F2 |
| Synchrotron site | CHESS |
| Beamline | F2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-10-08 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9640 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.947, 56.933, 77.296 |
| Unit cell angles | 90.00, 98.37, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.900 |
| R-factor | 0.2236 |
| Rwork | 0.224 |
| R-free | 0.26000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bex |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.028 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.075 * | |
| Number of reflections | 76883 | |
| <I/σ(I)> | 14 | 3.35 |
| Completeness [%] | 98.8 | 97.8 |
| Redundancy | 3.6 | 3.61 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 | 298 | PEG 4000, lithium nitrate, imidazole, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 30 (mg/ml) | |
| 2 | 1 | drop | HEPES | 25 (mM) | pH7.5 |
| 3 | 1 | reservoir | PEG4000 | 20 (%) | |
| 4 | 1 | reservoir | 100 (mM) | ||
| 5 | 1 | reservoir | imidazole | 100 (mM) | pH7.0 |
