8BK1
Mutant Imine Reductase IR007-143 from Amycolatopsis azurea, E120A, M197W, M206S, A213P, D238G, I240L
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2021-11-19 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97950 |
Spacegroup name | H 3 2 |
Unit cell lengths | 186.027, 186.027, 373.436 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 62.320 - 2.700 |
R-factor | 0.18932 |
Rwork | 0.188 |
R-free | 0.21087 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jiz |
RMSD bond length | 0.010 |
RMSD bond angle | 1.747 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.320 | 2.760 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.160 | 1.230 |
Rpim | 0.050 | 0.380 |
Number of reflections | 68344 | 4549 |
<I/σ(I)> | 14.8 | 2.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 21.4 | |
CC(1/2) | 1.000 | 0.860 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1 M bistris, 0.1 M NaCl, 1.5 M ammonium sulfate, 6% 1,4-butanediol |