2YLR
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP
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 32 2 1 |
Unit cell lengths | 107.700, 107.700, 107.450 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.780 - 2.260 |
R-factor | 0.18871 |
Rwork | 0.186 |
R-free | 0.23804 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w4x |
RMSD bond length | 0.019 |
RMSD bond angle | 1.753 |
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] | 30.000 | 2.400 |
High resolution limit [Å] | 2.260 | 2.260 |
Rmerge | 0.080 | 0.270 |
Number of reflections | 34179 | |
<I/σ(I)> | 12.6 | 4.7 |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 4.2 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 277 | BY VAPOR-DIFFUSION AT 4 DEGREES C USING 1-3 MICROL OF PROTEIN SOLUTIONS (18 MG/ML IN 0.5 MICROM FAD AND 4 MM NADP, 50 MM TRIS/HCL PH 7.5) MIXED WITH EQUAL VOLUMES OF RESERVOIR CONTAINING 40% W/V PEG4000, 100 MM MES/HCL PH 6.5, AND 100 MM NACL. |