4U89
4'-phosphopantetheinyl transferase PptT from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-04-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98011 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 99.808, 121.263, 48.828 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.320 - 1.400 |
R-factor | 0.1398 |
Rwork | 0.138 |
R-free | 0.16630 |
Structure solution method | SAD |
RMSD bond length | 0.025 |
RMSD bond angle | 2.415 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.316 | 30.316 | 1.480 |
High resolution limit [Å] | 1.400 | 4.180 | 1.400 |
Rmerge | 0.069 | 0.049 | 0.514 |
Rmeas | 0.074 | 0.053 | 0.570 |
Total number of observations | 408859 | ||
Number of reflections | 58569 | 2363 | 9261 |
<I/σ(I)> | 15.12 | 36.6 | 2.73 |
Completeness [%] | 99.7 | 99.7 | 98.5 |
Redundancy | 6.98 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 285 | 22% PEG 1000, 0.2 M LiSO4, 0.1 M phosphate-citrate pH 4.0 |
1 | VAPOR DIFFUSION, HANGING DROP | 4 | 285 | 22% PEG 1000, 0.2 M LiSO4, 0.1 M phosphate-citrate pH 4.0 |