4QJL
Crystal structure of M. ulcerans phosphopantetheinyl transferase MuPPT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-28 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.020, 59.750, 74.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.240 - 1.650 |
| R-factor | 0.1623 |
| Rwork | 0.160 |
| R-free | 0.20850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.031 |
| RMSD bond angle | 1.445 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 1.740 |
| High resolution limit [Å] | 1.650 | 5.220 | 1.650 |
| Rmerge | 0.069 | 0.388 | |
| Number of reflections | 25868 | ||
| <I/σ(I)> | 20.3 | 2.3 | |
| Completeness [%] | 85.5 | 99.7 | 66.7 |
| Redundancy | 7.2 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277 | 2 M lithium chloride, 32% (w/v) PEG 8000, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
