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 |