4N3E
Crystal structure of Hyp-1, a St John's wort PR-10 protein, in complex with 8-anilino-1-naphthalene sulfonate (ANS)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 146.290, 146.290, 298.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.870 - 2.430 |
| R-factor | 0.22353 |
| Rwork | 0.223 |
| R-free | 0.27759 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ie5 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.182 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.520 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Rmerge | 0.075 | 0.758 |
| Number of reflections | 61810 | |
| <I/σ(I)> | 26.435 | 2.64 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 8 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | HEPES 0.1 M, tribasic sodium citrate 1.3 M, glycerol 10% , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
