4LJA
ClpB NBD2 R621Q from T. thermophilus in complex with AMPPCP and guanidinium chloride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-10 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9120 |
| Spacegroup name | P 65 |
| Unit cell lengths | 74.800, 74.800, 119.500 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.920 - 2.000 |
| R-factor | 0.21935 |
| Rwork | 0.217 |
| R-free | 0.26343 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lj5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.256 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.043 | 0.821 |
| Number of reflections | 25581 | |
| <I/σ(I)> | 29.1 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.3 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M Tris/HCl, 15% isopropanol, 10mM magnesium chloride, 2mM AMPPCP, 100mM guanidinium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
