5EB5
The crystal structure of almond HNL, PaHNL5 V317A, in complex with benzyl alcohol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-29 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.364, 95.161, 92.190 |
| Unit cell angles | 90.00, 90.01, 90.00 |
Refinement procedure
| Resolution | 47.580 - 2.800 |
| R-factor | 0.22393 |
| Rwork | 0.222 |
| R-free | 0.25884 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5eb4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.214 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.600 | 2.970 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.147 | 0.564 |
| Number of reflections | 28768 | |
| <I/σ(I)> | 7.9 | 2.5 |
| Completeness [%] | 98.6 | 97.8 |
| Redundancy | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | Crystals of different forms were obtained under crystallization conditions varying - PEG 4K, isopropanol and 10mM Hepes pH 7-7.8 with protein concentration 19-28 mg/ml. |
