7MW7
Crystal structure of P1G mutant of D-dopachrome tautomerase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-14 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.51418 |
Spacegroup name | P 63 |
Unit cell lengths | 73.993, 73.993, 41.067 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.580 - 1.100 |
R-factor | 0.1783 |
Rwork | 0.178 |
R-free | 0.19000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7mse |
RMSD bond length | 0.007 |
RMSD bond angle | 0.962 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.210 | 1.120 |
High resolution limit [Å] | 1.090 | 1.170 | 1.090 |
Rmerge | 0.040 | 0.294 | 0.385 |
Rmeas | 0.042 | 0.313 | 0.417 |
Rpim | 0.012 | 0.108 | 0.156 |
Number of reflections | 52539 | 3540 | 2595 |
<I/σ(I)> | 15.5 | ||
Completeness [%] | 98.2 | 100 | 73.2 |
Redundancy | 10.5 | 8.1 | 6.4 |
CC(1/2) | 0.972 | 0.948 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.5 M Ammonium sulfate 0.1 M HEPES 7.5 30 % v/v (+/-)-2-Methyl-2,4-pentanediol |