5BKM
Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-11-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 104.444, 104.444, 127.477 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.226 - 2.703 |
| R-factor | 0.2034 |
| Rwork | 0.200 |
| R-free | 0.24210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5uno |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.133 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 5.810 | 2.700 |
| Rmerge | 0.303 | 0.160 | |
| Rmeas | 0.314 | 0.166 | |
| Rpim | 0.100 | 0.045 | 0.594 |
| Total number of observations | 296617 | ||
| Number of reflections | 22515 | 2378 | 2201 |
| <I/σ(I)> | 2.6 | ||
| Completeness [%] | 99.9 | 99.6 | 99.7 |
| Redundancy | 13.2 | 13.8 | 10.6 |
| CC(1/2) | 0.991 | 0.580 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 30% (W/V) PEG3350, 0.1 M Sodium Acetate pH 5.6, 0.2 M (NH4)2SO4, 10% (V/V) glycerol |
