4Y1B
Structure of crotonyl-CoA carboxylase/reductase AntE V350A in complex with NADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9800 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 77.580, 95.640, 129.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.820 - 1.500 |
R-factor | 0.1797 |
Rwork | 0.179 |
R-free | 0.19550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a10 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.119 |
Phasing software | MOLREP ((CCP4, Program Suite 6.4.0)) |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.590 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.036 | |
Number of reflections | 77021 | |
<I/σ(I)> | 27.62 | 4.29 |
Completeness [%] | 99.8 | 98.9 |
Redundancy | 6.61 | 6.46 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10 | 293 | 100 mM CAPS pH10.0, 38% PEG400, 1 mM NADPH |