6HB1
Structure of Hgh1, crystal form I
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 | 80.207, 86.427, 88.368 |
| Unit cell angles | 118.48, 105.80, 99.15 |
Refinement procedure
| Resolution | 29.303 - 2.330 |
| R-factor | 0.179 |
| Rwork | 0.177 |
| R-free | 0.22620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hb2 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.683 |
| Data reduction software | XDS (VERSION January 10, 2014) |
| Data scaling software | Aimless (0.1.27) |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.200 | 44.200 | 2.370 |
| High resolution limit [Å] | 2.330 | 11.870 | 2.330 |
| Rmerge | 0.108 | 0.073 | 0.911 |
| Rmeas | 0.116 | 0.079 | 1.017 |
| Rpim | 0.044 | 0.029 | 0.440 |
| Total number of observations | 552895 | ||
| Number of reflections | 79967 | 604 | 4219 |
| <I/σ(I)> | 11.5 | ||
| Completeness [%] | 98.8 | 98.2 | 91.2 |
| Redundancy | 6.9 | 7.4 | 4.8 |
| CC(1/2) | 0.997 | 0.996 | 0.597 |
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 |
