7W1A
Crystal Structure of MPH-E in complex with GMP and Azithromycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.973 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.014, 45.852, 89.677 |
Unit cell angles | 90.00, 105.71, 90.00 |
Refinement procedure
Resolution | 40.490 - 2.170 |
R-factor | 0.2559 |
Rwork | 0.254 |
R-free | 0.28310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5igj |
RMSD bond length | 0.017 |
RMSD bond angle | 1.628 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.210 |
High resolution limit [Å] | 2.170 | 2.170 |
Rmeas | 0.082 | 0.710 |
Number of reflections | 33719 | 1617 |
<I/σ(I)> | 18 | 1.5 |
Completeness [%] | 99.2 | 99.2 |
Redundancy | 3.2 | 2.7 |
CC(1/2) | 0.986 | 0.621 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.2M Ammonium acetate, 0.01M Mggnesium acetate tetrahydrate, 0.05M sodium cacodylate pH6.5, 30% PEG 8000 (20% Glycerol as cryoprotectant) |