5K5B
Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP
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 | 2014-11-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.972957 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 93.760, 54.280, 70.150 |
Unit cell angles | 90.00, 92.20, 90.00 |
Refinement procedure
Resolution | 39.370 - 1.350 |
R-factor | 0.1422 |
Rwork | 0.141 |
R-free | 0.17090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4q0h |
RMSD bond length | 0.010 |
RMSD bond angle | 1.506 |
Data reduction software | XDS |
Data scaling software | XSCALE (Oct 15, 2015) |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.970 | 1.380 | |
High resolution limit [Å] | 1.350 | 15.000 | 1.350 |
Rmerge | 0.036 | 0.036 | 0.560 |
Number of reflections | 75872 | ||
<I/σ(I)> | 18.37 | 48.35 | 2.31 |
Completeness [%] | 98.1 | 89.7 | 95.7 |
Redundancy | 4.36 | 4.23 | |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.95 | 293 | sodium acetate, PEG 400, DTT, 2-methyl-2, 4-pentanediol |