21DH
Crystal structure of MBP-fused Monobody P' in complex with HPPU
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL32B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL32B2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-31 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 99.159, 170.581, 422.181 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.330 - 2.570 |
| R-factor | 0.215 |
| Rwork | 0.213 |
| R-free | 0.24730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.509 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.330 | 2.660 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rmerge | 0.137 | 1.229 |
| Rmeas | 0.148 | 1.359 |
| Rpim | 0.056 | 0.571 |
| Number of reflections | 113710 | 21765 |
| <I/σ(I)> | 10.32 | 1.1 |
| Completeness [%] | 99.7 | 98.36 |
| Redundancy | 6.93 | 5.46 |
| CC(1/2) | 0.996 | 0.548 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% (w/v) PEG 4000, 0.1M sodium acetate, 0.28M ammonium sulfate |
