8H41
Crystal structure of a decarboxylase from Trichosporon moniliiforme in complex with o-nitrophenol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.916, 92.310, 128.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.930 - 1.780 |
R-factor | 0.1671 |
Rwork | 0.166 |
R-free | 0.19400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jqw |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.840 |
High resolution limit [Å] | 1.780 | 3.830 | 1.780 |
Rmerge | 0.093 | 0.038 | 0.596 |
Rmeas | 0.102 | 0.042 | 0.652 |
Rpim | 0.041 | 0.017 | 0.261 |
Total number of observations | 382838 | ||
Number of reflections | 64395 | 6861 | 6204 |
<I/σ(I)> | 12.9 | ||
Completeness [%] | 96.1 | 97.3 | 93.9 |
Redundancy | 5.9 | 6 | 6 |
CC(1/2) | 0.998 | 0.739 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 25% w/v Poly(acrylic acid sodium salt) 5100, 0.02 M MgCl2, 0.1 M HEPES pH 7.5, 10% glycerol |