8GDN
Structure of PmHMGR bound to mevalonate, CoA and NAD.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.033 |
| Spacegroup name | I 41 3 2 |
| Unit cell lengths | 226.043, 226.043, 226.043 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.190 - 1.990 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.22460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.073 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.060 |
| High resolution limit [Å] | 1.990 | 4.290 | 1.990 |
| Rmerge | 0.091 | 0.041 | 2.975 |
| Rmeas | 0.094 | 0.043 | 3.095 |
| Rpim | 0.022 | 0.010 | 0.846 |
| Total number of observations | 1095935 | ||
| Number of reflections | 67257 | 7098 | 6631 |
| <I/σ(I)> | 8 | ||
| Completeness [%] | 100.0 | 100 | 99.9 |
| Redundancy | 16.3 | 18.4 | 13.1 |
| CC(1/2) | 0.997 | 1.000 | 0.300 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293.15 | 1.2 M ammonium sulfate, 100 mM ADA and 10 % glycerol |
