6QXQ
4'-phosphopantetheinyl transferase PptAb from Mycobacterium abscessus at pH 7 with Mn2+ and CoA.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-15 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.972422 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 62.941, 83.423, 56.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.710 - 1.450 |
R-factor | 0.1604 |
Rwork | 0.167 |
R-free | 0.19520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u89 |
Data reduction software | TRUNCATE |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.710 | 1.502 |
High resolution limit [Å] | 1.450 | 1.450 |
Number of reflections | 52990 | 5216 |
<I/σ(I)> | 13.52 | |
Completeness [%] | 99.7 | |
Redundancy | 5.2 | |
CC(1/2) | 0.998 | 0.736 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 285 | 0.1 M HEPES 23 % PEG 6K 0.1 M LiSO4 |