7EJ3
UTP cyclohydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9715 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 115.152, 115.152, 283.489 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.930 - 1.600 |
| R-factor | 0.1391 |
| Rwork | 0.139 |
| R-free | 0.17310 |
| Structure solution method | SAD |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
| Rmerge | 0.116 | 0.053 | 1.089 |
| Rmeas | 0.119 | 0.054 | 1.118 |
| Rpim | 0.028 | 0.013 | 0.254 |
| Total number of observations | 2709459 | ||
| Number of reflections | 146135 | 7931 | 7173 |
| <I/σ(I)> | 4.1 | ||
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 18.5 | 17.3 | 19.2 |
| CC(1/2) | 0.999 | 0.855 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 292.15 | 15% w/v PEG 8000, 0.5 M lithium sulfate |
