6Z1B
Structure of K52-acetylated RutR in complex with uracil.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-01-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.307, 88.547, 150.004 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.980 - 2.250 |
R-factor | 0.1942 |
Rwork | 0.193 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jyk |
Data reduction software | XDS (Jun 1, 2017) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.310 | 48.310 | 2.320 |
High resolution limit [Å] | 2.250 | 9.000 | 2.250 |
Rmerge | 0.106 | 0.055 | 1.325 |
Rmeas | 0.116 | 0.062 | 1.445 |
Rpim | 0.046 | 0.027 | 0.571 |
Total number of observations | 199389 | 2893 | 18155 |
Number of reflections | 31447 | 583 | 2859 |
<I/σ(I)> | 9.8 | 24.9 | 1.5 |
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 6.3 | 5 | 6.4 |
CC(1/2) | 0.997 | 0.996 | 0.521 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 50 % precipitation mix 6 (25% w/v PEG 4000, 40% w/v 1,2,6-Hexanetriol), 0.1 M buffer system 4 (MOPSO, Bis-Tris pH 6.5), 100 mM amino acids mix 2 (0.2M DL-Arginine hydrochloride, 0.2M DL-Threonine, 0.2M DL-Histidine monohydrochloride monohydrate, 0.2M DL-5- Hydroxylysine hydrochloride, 0.2M trans-4-hydroxy-L-proline) |