6GJ0
Human IMPase with Mn
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 84.940, 84.940, 152.510 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.470 - 1.730 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4as4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.121 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.470 | 1.770 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.061 | 0.724 |
| Rmeas | 0.069 | 0.809 |
| Rpim | 0.030 | 0.353 |
| Number of reflections | 67109 | 4858 |
| <I/σ(I)> | 16.9 | 2.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.1 | 5.1 |
| CC(1/2) | 0.999 | 0.737 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | Equal volumes (1 uL) of the protein in storage buffer (20 mg/mL) and reservoir solution (0.12 M MnSO4, 0.1 M MES pH 5.5, 24 % (w/v) PEG 4000) were mixed. |
