4J90
Square-shaped octameric structure of KtrA with ATP bound
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-19 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.933400 |
| Spacegroup name | I 4 |
| Unit cell lengths | 122.838, 122.838, 84.123 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 86.860 - 3.240 |
| R-factor | 0.1927 |
| Rwork | 0.190 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.138 |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 86.860 | 45.996 | 3.260 |
| High resolution limit [Å] | 3.097 | 9.790 | 3.100 |
| Rmerge | 0.018 | 0.839 | |
| Rmeas | 0.022 | 0.991 | |
| Rpim | 0.012 | 0.523 | |
| Total number of observations | 1242 | 5849 | |
| Number of reflections | 11441 | ||
| <I/σ(I)> | 16.9 | 55.1 | 1.6 |
| Completeness [%] | 99.6 | 97.7 | 99.3 |
| Redundancy | 3.5 | 3.3 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1M Hepes pH7.5, 3% polyethylene glycol 6000, 2.5% 2-methyl-2,4-pentanediol (MPD), VAPOR DIFFUSION, SITTING DROP, temperature 293K |
