9DVH
A1 Tei + D-Hpg: Adenylation Domain 1 Core Construct from Teicoplanin Biosynthesis with D-4-Hydroxyphenylglycine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 42.253, 123.488, 176.067 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.020 - 1.656 |
| R-factor | 0.1695 |
| Rwork | 0.168 |
| R-free | 0.19240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1amu |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.840 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.020 | 1.715 |
| High resolution limit [Å] | 1.656 | 1.656 |
| Rmerge | 0.199 | 1.019 |
| Rpim | 0.084 | 0.418 |
| Number of reflections | 110910 | 10934 |
| <I/σ(I)> | 14.07 | 0.96 |
| Completeness [%] | 100.0 | 99.96 |
| Redundancy | 6.8 | |
| CC(1/2) | 0.976 | 0.756 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293.15 | 0.1 M MMT (L-Malic acid, MES and Tris in a ratio of 1:2:2), pH 6 and 25% w/v PEG 1500 |
