3GRO
Human palmitoyl-protein thioesterase 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97940 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.710, 90.642, 129.165 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.530 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ei9 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.081 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.620 |
| High resolution limit [Å] | 2.530 | 5.450 | 2.530 |
| Rmerge | 0.170 | 0.084 | 0.993 |
| Number of reflections | 21818 | ||
| <I/σ(I)> | 6.1 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 8.8 | 8.4 | 8.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.4 | 291 | 24% PEG 3350, 0.2M Ammonium sulfate, 0.1M Sodium cacodylate. Cryoprotectant: 9 parts reservoir + 1 part 80% glycerol, pH 5.4, VAPOR DIFFUSION, temperature 291K |
