6T85
Urocanate reductase in complex with ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.839, 95.762, 63.200 |
Unit cell angles | 90.00, 91.04, 90.00 |
Refinement procedure
Resolution | 63.189 - 1.100 |
R-factor | 0.1086 |
Rwork | 0.107 |
R-free | 0.12970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1d4c |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14-3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.190 | 63.190 | 1.120 |
High resolution limit [Å] | 1.100 | 6.020 | 1.100 |
Rmerge | 0.105 | 0.061 | 0.827 |
Rmeas | 0.111 | 0.064 | 0.991 |
Rpim | 0.036 | 0.020 | 0.538 |
Total number of observations | 1753417 | 13569 | 29318 |
Number of reflections | 198264 | 1274 | 9149 |
<I/σ(I)> | 9.5 | 33.3 | 1.2 |
Completeness [%] | 98.6 | 100 | 92.4 |
Redundancy | 8.8 | 10.7 | 3.2 |
CC(1/2) | 0.999 | 0.995 | 0.543 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 20 % PEG4000 0.1 M MgCl2 0.1 M HEPES pH 7.0. |