6HB2
Structure of Hgh1, crystal form I, Selenomethionine derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97895 |
| Spacegroup name | P 1 |
| Unit cell lengths | 80.415, 87.212, 88.682 |
| Unit cell angles | 118.07, 105.97, 99.54 |
Refinement procedure
| Resolution | 29.612 - 2.700 |
| R-factor | 0.1915 |
| Rwork | 0.190 |
| R-free | 0.21420 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.759 |
| Data reduction software | XDS (VERSION January 10, 2014) |
| Data scaling software | Aimless (0.1.27) |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.750 | 44.750 | 2.780 |
| High resolution limit [Å] | 2.700 | 11.120 | 2.700 |
| Rmerge | 0.193 | 0.106 | 1.528 |
| Rmeas | 0.201 | 0.110 | 1.592 |
| Rpim | 0.053 | 0.029 | 0.439 |
| Total number of observations | 722320 | ||
| Number of reflections | 52277 | 735 | 4331 |
| <I/σ(I)> | 13.3 | ||
| Completeness [%] | 99.1 | 97.7 | 93.9 |
| Redundancy | 13.8 | 13.7 | 11.6 |
| CC(1/2) | 0.997 | 0.997 | 0.774 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 10% PEG-3350, 0.2 M MgCl2, 0.1 M Tris-HCl pH 8.5 and 20 mM DTT |
