7CQR
Complex structure of HPPD with Y16550
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-10-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 77.085, 83.788, 63.024 |
| Unit cell angles | 90.00, 100.32, 90.00 |
Refinement procedure
| Resolution | 28.113 - 1.947 |
| R-factor | 0.1809 |
| Rwork | 0.179 |
| R-free | 0.21360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jx9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.815 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.980 |
| High resolution limit [Å] | 1.947 | 1.947 |
| Rmerge | 0.070 | 0.168 |
| Number of reflections | 26523 | 1339 |
| <I/σ(I)> | 15.1 | 6 |
| Completeness [%] | 92.2 | 93.4 |
| Redundancy | 3.1 | |
| CC(1/2) | 0.985 | 0.977 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Tris-HCl pH8.5, 0.1M Bicine pH8.5, 0.03 M NaF, 0.03 M NaBr, 0.03 M NaI, 25%(w/v) MPD, 25%(w/v) PEG1000, 25%(w/v) PEG3350 |
