3R1Z
Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Complex with L-Ala-L-Glu and L-Ala-D-Glu
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 98 |
Detector technology | CCD |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.97905 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 121.190, 121.190, 149.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.690 - 1.900 |
R-factor | 0.1585 |
Rwork | 0.157 |
R-free | 0.18540 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.242 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.097 | 0.380 |
Number of reflections | 85703 | |
<I/σ(I)> | 16.4 | 5.8 |
Completeness [%] | 97.9 | 92.5 |
Redundancy | 12.5 | 12.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | vapour diffusion, sitting drop | 5.6 | 294 | Protein: 10 mM HEPES pH 7.5, 150 mM Nacl, 10% glycerol, 5 mM DTT; Reservoir: 2M Ammonium Sulfate, 100 mM NaCitrate, 200 mM KNaTartrate; Soak: 2.2 M Ammonium sulfate, 100 mM MES pH 6.0, 18% glycerol, 50mM MgSO4, 25 mM L-Ala-L-Glu, 30 min, vapour diffusion, sitting drop, temperature 294K |