5C1A
p97-N750D/R753D/M757D/Q760D in complex with ATP-gamma-S
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 182.669, 145.470, 251.397 |
| Unit cell angles | 90.00, 109.77, 90.00 |
Refinement procedure
| Resolution | 49.047 - 3.800 |
| R-factor | 0.1935 |
| Rwork | 0.190 |
| R-free | 0.25360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cf3 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.004 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.1.27) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.050 | 49.050 | 3.860 |
| High resolution limit [Å] | 3.800 | 20.810 | 3.800 |
| Rmerge | 0.140 | 0.059 | 1.871 |
| Rpim | 0.062 | 0.028 | 0.808 |
| Total number of observations | 702900 | 3851 | 35850 |
| Number of reflections | 120767 | ||
| <I/σ(I)> | 8 | 29.1 | 1.1 |
| Completeness [%] | 98.9 | 90.5 | 99.2 |
| Redundancy | 5.8 | 5.4 | 6 |
| CC(1/2) | 0.997 | 0.993 | 0.501 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 9-9.5% PEG 4000, 0.4-0.5 M magnesium acetate, 0.1 M sodium-citrate pH 5.6 |
