6NXJ
Flavin Transferase ApbE from Vibrio cholerae, H257G mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-24 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.161, 71.922, 104.569 |
Unit cell angles | 90.00, 93.29, 90.00 |
Refinement procedure
Resolution | 36.850 - 1.920 |
R-factor | 0.1963 |
Rwork | 0.194 |
R-free | 0.23680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pnd |
RMSD bond length | 0.010 |
RMSD bond angle | 1.569 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.850 | 36.850 | 1.950 |
High resolution limit [Å] | 1.920 | 5.210 | 1.920 |
Rmerge | 0.107 | 0.049 | 0.640 |
Rmeas | 0.127 | 0.058 | 0.775 |
Rpim | 0.067 | 0.030 | 0.431 |
Number of reflections | 53702 | 2811 | 2614 |
<I/σ(I)> | 5.6 | 1.53 | |
Completeness [%] | 97.0 | 97.9 | 95 |
Redundancy | 3.3 | 3.5 | 2.9 |
CC(1/2) | 0.992 | 0.995 | 0.707 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1 M sodium acetate, 22% PEG 4000, 0.1 M HEPES buffer |