6QKI
Native structure of EgtB from Chloracidobacterium thermophilum, a type II sulfoxide synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-23 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.969, 127.460, 89.540 |
| Unit cell angles | 90.00, 113.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.040 |
| R-factor | 0.2105 |
| Rwork | 0.209 |
| R-free | 0.24670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.966 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.210 | 39.210 | 2.150 |
| High resolution limit [Å] | 2.040 | 6.460 | 2.040 |
| Rmerge | 0.107 | 0.068 | 0.574 |
| Rmeas | 0.127 | 0.077 | 0.718 |
| Rpim | 0.050 | 0.029 | 0.305 |
| Total number of observations | 714035 | 24150 | 90207 |
| Number of reflections | 109407 | 3547 | 15540 |
| <I/σ(I)> | 7.7 | 16.8 | 2.3 |
| Completeness [%] | 98.8 | 99 | 96.4 |
| Redundancy | 6.5 | 6.8 | 5.8 |
| CC(1/2) | 0.993 | 0.994 | 0.521 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 303.15 | 13 % PEG 3350, 0.25 M MgAc |
