5NWN
Deinococcus radiodurans BphP PAS-GAF-PHY Y263F mutant, dark
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-30 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97779 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.110, 197.120, 214.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.940 - 3.600 |
R-factor | 0.2495 |
Rwork | 0.247 |
R-free | 0.28680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5c5k |
RMSD bond length | 0.007 |
RMSD bond angle | 1.175 |
Data reduction software | XDS |
Data scaling software | XSCALE (Nov 1, 2016) |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.940 | 19.940 | 3.690 |
High resolution limit [Å] | 3.600 | 15.000 | 3.600 |
Rmerge | 0.072 | 0.027 | 1.414 |
Rmeas | 0.082 | 0.031 | 1.592 |
Number of reflections | 40750 | 355 | 2947 |
<I/σ(I)> | 11.59 | 37.75 | 0.9 |
Completeness [%] | 96.6 | 50.9 | 98.8 |
Redundancy | 4.389 | 3.628 | 4.522 |
CC(1/2) | 0.999 | 0.999 | 0.343 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 100 mM Tris/HCL pH 8.5, 200 mM sodium acetate trihydrate, 30% PEG4000 |