5GIU
Crystal structure of Xaa-Pro peptidase from Deinococcus radiodurans, metal-free active site
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 | 2013-09-06 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.979470 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 60.327, 60.327, 203.515 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.890 - 1.610 |
R-factor | 0.1836 |
Rwork | 0.183 |
R-free | 0.20020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cdv |
RMSD bond length | 0.016 |
RMSD bond angle | 1.470 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2152: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.890 | 1.640 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.055 | 0.295 |
Number of reflections | 49035 | |
<I/σ(I)> | 20.5 | 2.9 |
Completeness [%] | 98.0 | 79.4 |
Redundancy | 6 | 2.2 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 294 | 0.1M phospho-citrate pH 4.54, 0.2M NaCl, 14% PEG 8000 |