5TNU
S. tokodaii XPB II crystal structure at 3.0 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 12.3.1 |
| Synchrotron site | ALS |
| Beamline | 12.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 160.922, 160.922, 122.960 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.880 - 3.050 |
| R-factor | 0.1976 |
| Rwork | 0.196 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fwr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.312 |
| Data reduction software | MOSFLM (7.2.0) |
| Data scaling software | Aimless (0.5.12) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.880 | 29.880 | 3.210 |
| High resolution limit [Å] | 3.050 | 9.640 | 3.050 |
| Rmerge | 0.374 | 0.065 | 2.904 |
| Rmeas | 0.382 | 0.066 | 2.967 |
| Rpim | 0.078 | 0.014 | 0.609 |
| Total number of observations | 740378 | 24703 | 105244 |
| Number of reflections | 31341 | 1080 | 4504 |
| <I/σ(I)> | 11.2 | 33.8 | 2 |
| Completeness [%] | 99.9 | 96.7 | 100 |
| Redundancy | 23.6 | 22.9 | 23.4 |
| CC(1/2) | 0.996 | 0.999 | 0.629 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 1:1 ratio of protein with 10 mM sodium citrate pH 5.6, 1770 mM ammonium sulfate |
