7BMU
p62PH in cesium chloride (0.25 M CsCl in protein buffer)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.7712 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 34.462, 106.517, 75.899 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.260 - 1.900 |
| R-factor | 0.1652 |
| Rwork | 0.162 |
| R-free | 0.22410 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.004 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 75.900 | 75.900 | 1.940 |
| High resolution limit [Å] | 1.900 | 9.110 | 1.900 |
| Rmerge | 0.080 | 0.070 | 0.450 |
| Rmeas | 0.082 | 0.072 | 0.465 |
| Rpim | 0.017 | 0.016 | 0.114 |
| Total number of observations | 236591 | 2593 | 9776 |
| Number of reflections | 11097 | 133 | 643 |
| <I/σ(I)> | 28.7 | 56.2 | 6.9 |
| Completeness [%] | 97.4 | 99.7 | 90 |
| Redundancy | 21.3 | 19.5 | 15.2 |
| CC(1/2) | 0.999 | 0.999 | 0.965 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.8 M potassium chloride, 17 % (w/v) PEG 4000 |
