7E8P
Crystal structure of a Flavin-dependent Monooxygenase HadA wild type complexed with reduced FAD and 4-nitrophenol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER TURBO X-RAY SOURCE |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2018-03-13 |
Detector | BRUKER PHOTON 100 |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 97.817, 161.855, 168.647 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.710 - 2.300 |
R-factor | 0.2137 |
Rwork | 0.211 |
R-free | 0.26540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jhm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.508 |
Data reduction software | PROTEUM PLUS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.740 | 20.740 | 2.340 |
High resolution limit [Å] | 2.300 | 12.600 | 2.300 |
Rmerge | 0.110 | 0.050 | 0.426 |
Rmeas | 0.122 | 0.053 | 0.505 |
Rpim | 0.052 | 0.018 | 0.264 |
Total number of observations | 586952 | 4090 | 19121 |
Number of reflections | 118305 | 560 | 5743 |
<I/σ(I)> | 9.9 | 24.6 | 2.4 |
Completeness [%] | 99.3 | 69 | 98.1 |
Redundancy | 5 | 7.3 | 3.3 |
CC(1/2) | 0.993 | 0.999 | 0.879 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.5 | 298 | 0.1 M Bis-Tris propane pH 6.5, 0.35 M sodium citrate tribasic dihydrate and 24% w/v PEG3350 |