9GVX
M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 1e conjugate
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-09 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 58.305, 58.305, 101.735 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.270 - 2.100 |
| R-factor | 0.20361 |
| Rwork | 0.201 |
| R-free | 0.25401 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.634 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 101.740 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.060 | 0.836 |
| Rmeas | 0.065 | 0.905 |
| Rpim | 0.025 | 0.341 |
| Number of reflections | 12211 | 1716 |
| <I/σ(I)> | 14.7 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.7 | 6.8 |
| CC(1/2) | 0.999 | 0.852 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 281 | 0.2 M sodium malonate pH 7 and 20% w/v polyethylene glycol 3.350 |
