5M6C
CRYSTAL STRUCTURE OF T71N MUTANT OF HUMAN HIPPOCALCIN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-25 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 61 |
| Unit cell lengths | 51.160, 51.160, 284.061 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.300 - 3.000 |
| R-factor | 0.22195 |
| Rwork | 0.219 |
| R-free | 0.28268 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5g4p |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.139 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.300 | 3.180 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.122 | 0.570 |
| Number of reflections | 8283 | |
| <I/σ(I)> | 4.9 | 1.6 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 2.7 | 2.7 |
| CC(1/2) | 0.980 | 0.310 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | 0.1 M SODIUM CITRATE TRIBASIC DIHYDRATE PH 5.5, 18% V/V 2-PROPANOL, 16% W/V PEG 4000 |
