9CQH
CRYSTAL STRUCTURE OF APO CLEAVED N-TERNMINAL HIS-TAG GAGA-DOG HSP47(36-418) IN A C 2 CRYSTAL FORM
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-24 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 180.037, 115.493, 187.534 |
| Unit cell angles | 90.00, 106.80, 90.00 |
Refinement procedure
| Resolution | 28.870 - 2.006 |
| R-factor | 0.2346 |
| Rwork | 0.234 |
| R-free | 0.25430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS (Feb 5, 2021) |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 179.535 | 179.535 | 2.278 |
| High resolution limit [Å] | 2.006 | 6.440 | 2.006 |
| Rmerge | 0.087 | 0.045 | 0.656 |
| Rmeas | 0.105 | 0.054 | 0.785 |
| Rpim | 0.058 | 0.029 | 0.427 |
| Total number of observations | 486247 | 24824 | 24531 |
| Number of reflections | 150858 | 7542 | 7544 |
| <I/σ(I)> | 8.24 | 20.32 | 1.83 |
| Completeness [%] | 92.1 | 98.9 | 60.7 |
| Completeness (spherical) [%] | 61.5 | 98.9 | 9.7 |
| Completeness (ellipsoidal) [%] | 92.1 | 98.9 | 60.7 |
| Redundancy | 3.22 | 3.29 | 3.25 |
| CC(1/2) | 0.996 | 0.996 | 0.662 |
| Anomalous completeness (spherical) | 54.5 | 96.2 | 6.1 |
| Anomalous completeness | 82.1 | 96.2 | 38.9 |
| Anomalous redundancy | 1.7 | 1.7 | 1.8 |
| CC(ano) | 0.018 | 0.059 | -0.032 |
| |DANO|/σ(DANO) | 0.8 | 0.7 | 0.8 |
| Diffraction limits | Principal axes of ellipsoid fitted to diffraction cut-off surface |
| 2.006 Å | 0.901, 0.901, 0.901 |
| 2.387 Å | 0.000, 0.000, 0.000 |
| 2.547 Å | -0.434, -0.434, -0.434 |
| Criteria used in determination of diffraction limits | local <I/sigmaI> ≥ 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 100 mM MMT, pH 8.5, 25% (w/v) PEG 3350, 500 mM Lithium Sulfate |
