5WYA
Structure of amino acid racemase, 2.65 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 | 2016-06-25 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.091, 160.681, 186.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.650 |
R-factor | 0.1777 |
Rwork | 0.175 |
R-free | 0.22160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.499 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.700 |
High resolution limit [Å] | 2.650 | 7.190 | 2.650 |
Rmerge | 0.159 | 0.034 | 0.991 |
Rmeas | 0.174 | 0.037 | 1.095 |
Rpim | 0.070 | 0.014 | 0.458 |
Number of reflections | 54153 | ||
<I/σ(I)> | 7.1 | ||
Completeness [%] | 99.7 | 99.5 | 99.5 |
Redundancy | 6.1 | 6.8 | 5.4 |
CC(1/2) | 0.999 | 0.686 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | PEG 3000, NaCl, Hepes |