4YSN
Structure of aminoacid racemase in complex with PLP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-29 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.027, 169.017, 178.009 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.940 |
R-factor | 0.1494 |
Rwork | 0.147 |
R-free | 0.18750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2eo5 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.836 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
High resolution limit [Å] | 1.940 | 5.260 | 1.940 |
Rmerge | 0.111 | 0.089 | 0.293 |
Total number of observations | 885535 | ||
Number of reflections | 132236 | ||
<I/σ(I)> | 15.6 | ||
Completeness [%] | 99.7 | 95.7 | 99.9 |
Redundancy | 6.7 | 6.4 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 2-propanol, Mg acetate, cacodylate |