4ZXI
Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase bound to AMP and Glycine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 113.15 |
| Detector technology | CCD |
| Collection date | 2015-03-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 116.100, 116.100, 342.020 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.030 - 2.900 |
| R-factor | 0.1759 |
| Rwork | 0.174 |
| R-free | 0.22490 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.181 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.030 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.054 | 0.336 |
| Number of reflections | 52900 | |
| <I/σ(I)> | 8.82 | 2.25 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 1.9 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 287.15 | 0.75-0.95 M potassium citrate, 0.01-0.025 M glycine, 0.05 M BTP |
