5WYF
Structure of amino acid racemase, 2.12 A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.514, 85.277, 186.566 |
Unit cell angles | 90.00, 96.93, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.120 |
R-factor | 0.1785 |
Rwork | 0.176 |
R-free | 0.22070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wya |
RMSD bond length | 0.015 |
RMSD bond angle | 1.714 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.160 |
High resolution limit [Å] | 2.120 | 5.750 | 2.120 |
Rmerge | 0.081 | 0.037 | 0.470 |
Rmeas | 0.088 | 0.041 | 0.516 |
Rpim | 0.034 | 0.016 | 0.207 |
Number of reflections | 104213 | ||
<I/σ(I)> | 5.2 | ||
Completeness [%] | 99.3 | 99.9 | 96.1 |
Redundancy | 6.5 | 6.6 | 5.5 |
CC(1/2) | 0.999 | 0.923 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Cadmium sulfate hydrate, Sodium acetate, Hepes |