7YPN
Crystal structure of transaminase CC1012 mutant M9 complexed with PLP
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 | 2020-12-07 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.734, 78.879, 86.497 |
Unit cell angles | 90.00, 100.54, 90.00 |
Refinement procedure
Resolution | 39.440 - 2.049 |
R-factor | 0.183 |
Rwork | 0.181 |
R-free | 0.21180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ypm |
RMSD bond length | 0.002 |
RMSD bond angle | 0.516 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.090 |
High resolution limit [Å] | 2.049 | 2.050 |
Number of reflections | 52548 | 2588 |
<I/σ(I)> | 10.2 | |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 6.5 | |
CC(1/2) | 0.800 | 0.816 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.69 | 291 | 100 mM Tris-HCl, pH 8.69, LiCl, 0.8 M, PEG 4000, 29% (w/v) |