6PT4
Crystal structure of apo PsS1_NC
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) | 0.9787 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.470, 102.091, 170.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.100 - 1.450 |
| R-factor | 0.1418 |
| Rwork | 0.141 |
| R-free | 0.15990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6bia |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.828 |
| 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] | 49.720 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.062 | 0.253 |
| Number of reflections | 178310 | 8776 |
| <I/σ(I)> | 16.6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 7.3 | |
| CC(1/2) | 0.999 | 0.960 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | PEG 5k mme, Bis-Tris, 2-methyl-2,4-pentanediol |
