6HB3
Structure of Hgh1, crystal form II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00800 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 191.798, 69.643, 206.866 |
| Unit cell angles | 90.00, 93.75, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.000 |
| R-factor | 0.2202 |
| Rwork | 0.220 |
| R-free | 0.23020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.954 |
| Data reduction software | XDS (VERSION January 10, 2014) |
| Data scaling software | Aimless (0.1.27) |
| Phasing software | MOLREP (11.0.05) |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.960 | 47.960 | 3.090 |
| High resolution limit [Å] | 3.000 | 12.720 | 3.000 |
| Rmerge | 0.104 | 0.024 | 0.772 |
| Rmeas | 0.123 | 0.029 | 0.913 |
| Rpim | 0.066 | 0.015 | 0.482 |
| Total number of observations | 2607 | 14704 | |
| Number of reflections | 54838 | 775 | 4246 |
| <I/σ(I)> | 9.8 | 35.5 | 1.5 |
| Completeness [%] | 99.3 | 98 | 95 |
| Redundancy | 3.4 | 3.4 | 3.5 |
| CC(1/2) | 0.997 | 0.999 | 0.793 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 16% PEG-3350, 0.1 M Na3-citrate and 20 mM DTT |
