3TM1
Crystal structure of mature ThnT, a pantetheine hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-09 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9788 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 141.648, 67.765, 73.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.530 - 1.800 |
| R-factor | 0.17085 |
| Rwork | 0.169 |
| R-free | 0.19685 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.389 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 4.120 | 1.800 |
| Rmerge | 0.097 | 0.050 | 0.415 |
| Number of reflections | 63864 | ||
| <I/σ(I)> | 10.9 | ||
| Completeness [%] | 96.2 | 99.1 | 72 |
| Redundancy | 8.2 | 9.1 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 15% PEG3350, 0.5M NaAcetate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
