8HIC
Crystal structure of UrtA from Prochlorococcus marinus str. MIT 9313 in complex with urea and calcium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NFPSS BEAMLINE BL19U1 |
Synchrotron site | NFPSS |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-01-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 119.700, 47.612, 71.642 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.820 - 1.600 |
R-factor | 0.1608 |
Rwork | 0.159 |
R-free | 0.18910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pea |
RMSD bond length | 0.005 |
RMSD bond angle | 0.830 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.090 | 0.426 |
Rmeas | 0.100 | 0.471 |
Rpim | 0.042 | 0.196 |
Number of reflections | 836660 | 836660 |
<I/σ(I)> | 17.99 | |
Completeness [%] | 99.0 | |
Redundancy | 5.1 | |
CC(1/2) | 0.994 | 0.887 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 291 | 0.16 M calcium chloride, 0.1 M sodium acetate (pH 4.8), 16% (w/v) polyethylene glycol (PEG) 6000 |