3ELL
Structure of the hemophore from Pseudomonas aeruginosa (HasAp)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-10-01 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 |
| Unit cell lengths | 47.700, 47.700, 141.290 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.1658 |
| Rwork | 0.166 |
| R-free | 0.18940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b2v |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.620 |
| Data reduction software | CrystalClear |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.031 | 0.063 |
| Number of reflections | 36833 | |
| <I/σ(I)> | 22.2 | 12.7 |
| Completeness [%] | 93.1 | 87.6 |
| Redundancy | 2.2 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 296 | 100 mM MES buffer (pH 6.0), 100 mM NH4Cl, and 80% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
