6GIU
Human IMPase with L-690330
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-11-30 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9141 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 85.290, 85.290, 151.510 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.350 - 1.390 |
| R-factor | 0.149 |
| Rwork | 0.148 |
| R-free | 0.16670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4as4 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.180 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.500 | 1.430 |
| High resolution limit [Å] | 1.390 | 1.390 |
| Rmerge | 0.076 | 0.636 |
| Rmeas | 0.085 | 0.712 |
| Rpim | 0.037 | 0.315 |
| Number of reflections | 128518 | 9423 |
| <I/σ(I)> | 12.1 | 2.3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.1 | 5 |
| CC(1/2) | 0.998 | 0.761 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | Equal volumes (1uL) of the enzyme-inhibitor mix and reservoir solution (0.2 M MnSO4, 0.1 M MES pH 5.5, 25 % (w/v) PEG 4000) containing seeds (diluted 1:100 in reservoir solution) were mixed. |
