7BMZ
p62PH in potassium chloride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.7712 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 34.736, 106.174, 76.209 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.560 - 2.500 |
| R-factor | 0.2057 |
| Rwork | 0.202 |
| R-free | 0.26570 |
| Structure solution method | SAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.598 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.560 | 43.560 | 2.600 |
| High resolution limit [Å] | 2.500 | 9.020 | 2.500 |
| Rmerge | 0.142 | 0.075 | 1.176 |
| Rmeas | 0.149 | 0.079 | 1.272 |
| Rpim | 0.041 | 0.023 | 0.473 |
| Total number of observations | 1534 | 3604 | |
| Number of reflections | 5119 | 135 | 521 |
| <I/σ(I)> | 14.4 | 32.8 | 1.6 |
| Completeness [%] | 99.1 | 99.5 | 93 |
| Redundancy | 12.5 | 11.4 | 6.9 |
| CC(1/2) | 0.997 | 0.997 | 0.633 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.9 M potassium chloride, 19 % (w/v) PEG 4000 |
