4ZDL
The crystal structure of the T325S mutant of the human holo SepSecS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2014-02-22 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 68.016, 83.151, 193.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.224 - 2.260 |
| R-factor | 0.1658 |
| Rwork | 0.163 |
| R-free | 0.22130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hl2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.107 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.290 |
| High resolution limit [Å] | 2.250 | 6.100 | 2.250 |
| Rmerge | 0.184 | 0.084 | 0.983 |
| Rmeas | 0.190 | 0.087 | |
| Rpim | 0.047 | 0.021 | 0.433 |
| Total number of observations | 628475 | ||
| Number of reflections | 44262 | ||
| <I/σ(I)> | 5.2 | ||
| Completeness [%] | 85.0 | 99.9 | 40.9 |
| Redundancy | 14.2 | 17.8 | 4.7 |
| CC(1/2) | 0.998 | 0.631 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 285 | 0.28-0.34 M lithium citrate 16-18% (w/v) PEG 3,350 |
