7MHB
Crystal structure of ATP-dependent protease ATPase subunit HslU in complex with Adenosine 5'-diphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-12-03 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | H 3 2 |
Unit cell lengths | 191.750, 191.750, 147.660 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.970 - 2.600 |
R-factor | 0.2507 |
Rwork | 0.248 |
R-free | 0.28780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ofh in two domains as per Morda |
RMSD bond length | 0.005 |
RMSD bond angle | 0.749 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (1.19 dev 4203) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.670 |
High resolution limit [Å] | 2.600 | 11.630 | 2.600 |
Rmerge | 0.088 | 0.042 | 0.595 |
Rmeas | 0.093 | 0.045 | 0.628 |
Number of reflections | 32080 | 394 | 2352 |
<I/σ(I)> | 16.03 | 31.69 | 4.11 |
Completeness [%] | 99.9 | 96.8 | 100 |
Redundancy | 9.33 | 8.102 | 9.496 |
CC(1/2) | 0.998 | 0.998 | 0.940 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 287 | Anatrace/Calibre MCSG1 screen, condition G3: 1.5M Ammonium sulfate, 100mM Bis-Tris Propane: HCl, pH 7: Braba.00053.a.AE5.PW38673 at 20mg/ml: tray 311683 G3: cryo: 25% EG: puck akp6-1. |