6PTK
Crystal structure of the sulfatase PsS1_NC C84A with bound sulfate ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-05 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.830, 110.680, 175.900 |
| Unit cell angles | 90.00, 105.38, 90.00 |
Refinement procedure
| Resolution | 56.750 - 1.750 |
| R-factor | 0.1407 |
| Rwork | 0.140 |
| R-free | 0.16250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6pt4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.634 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.780 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.099 | 0.202 |
| Number of reflections | 201748 | 28359 |
| <I/σ(I)> | 9.8 | |
| Completeness [%] | 87.0 | |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | PEG 8000, Na cacodylate, Ca acetate, LiCl2, glycerol |
