6UMV
Human apo PD-1 double mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-04-12 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 46.199, 46.199, 89.407 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.520 - 1.424 |
| R-factor | 0.1633 |
| Rwork | 0.161 |
| R-free | 0.18940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rrq |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.636 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.440 |
| High resolution limit [Å] | 1.420 | 3.850 | 1.420 |
| Rmerge | 0.094 | 0.069 | 0.783 |
| Rmeas | 0.100 | 0.074 | 0.873 |
| Rpim | 0.034 | 0.027 | 0.382 |
| Total number of observations | 162777 | ||
| Number of reflections | 21337 | 1187 | 1034 |
| <I/σ(I)> | 11.2 | ||
| Completeness [%] | 99.7 | 99.7 | 97.5 |
| Redundancy | 7.6 | 8.1 | 3.6 |
| CC(1/2) | 0.995 | 0.779 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100 mM sodium chloride, 100 mM Tris-HCl, pH 8.0, 36% w/v PEG3350 |
