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 |