4JGT
Structure and kinetic analysis of H2S production by human Mercaptopyruvate Sulfurtransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-08 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 110.737, 171.859, 72.984 |
| Unit cell angles | 90.00, 117.18, 90.00 |
Refinement procedure
| Resolution | 85.930 - 2.161 |
| R-factor | 0.18727 |
| Rwork | 0.185 |
| R-free | 0.21997 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3olh |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.384 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.930 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 59501 | |
| <I/σ(I)> | 6.8 | 1.7 |
| Completeness [%] | 96.1 | 96.1 |
| Redundancy | 1.8 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 2 M ammonium sulfate, 0.1 M sodium acetate pH 4.5 and 0.02 M betaine hydrochloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
