2XLT
Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: complex with 3-Acetylpyridine adenine dinucleotide phosphate (APADP)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 61 |
Unit cell lengths | 219.748, 219.748, 130.624 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 61.780 - 2.200 |
R-factor | 0.17521 |
Rwork | 0.174 |
R-free | 0.20232 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vq7 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.568 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.000 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.100 | 0.340 |
Number of reflections | 180729 | |
<I/σ(I)> | 11.3 | 4 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.3 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.5 | 277 | CRYSTALS WERE OBTAINED USING MICROBATCH TECHNIQUE UNDER 100% PARAFFIN OIL AT 4 C BY MIXING EQUAL VOLUMES OF 8 MG PROTEIN/ML IN 25 MM TRIS/HCL PH 8.0, 250 MM NACL, 1 MM NADP (OR ANALOGUE), AND 20% (W/V) PEG4000 IN 100 MM NA/HEPES PH 7.5 |