5XEV
Crystal Structure of a novel Xaa-Pro dipeptidase from Deinococcus radiodurans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
Synchrotron site | RRCAT INDUS-2 |
Beamline | PX-BL21 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-29 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97947 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.670, 91.879, 53.849 |
Unit cell angles | 90.00, 98.78, 90.00 |
Refinement procedure
Resolution | 31.955 - 1.400 |
R-factor | 0.1473 |
Rwork | 0.146 |
R-free | 0.16390 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.918 |
Data scaling software | Aimless |
Phasing software | AutoSol |
Refinement software | PHENIX ((1.10_2152)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.940 | 1.420 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.066 | 0.789 |
Rpim | 0.027 | 0.331 |
Number of reflections | 85429 | 4196 |
<I/σ(I)> | 15.9 | 2.3 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 6.7 | 6.6 |
CC(1/2) | 0.999 | 0.757 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 4.8 | 294 | 40 mM KH2PO4, 10mM ammonium citrate, pH 4.8, 3 mM phenylalanine, 1 mM MnCl2, 10 mM ZnCl2, 16% PEG8000, 20% Glycerol |