6UTS
Crystal Structure of bacterial pirin YhhW in complex with nickel(II) from Escherichia coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.03319 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 108.870, 108.870, 83.368 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.390 - 3.090 |
R-factor | 0.2334 |
Rwork | 0.230 |
R-free | 0.26540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tq5 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.099 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.390 | 3.102 |
High resolution limit [Å] | 3.088 | 3.088 |
Rmerge | 0.200 | |
Rmeas | 0.207 | |
Number of reflections | 9553 | 9607 |
<I/σ(I)> | 15.08 | |
Completeness [%] | 98.9 | |
Redundancy | 25 | |
CC(1/2) | 0.990 | 0.678 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293.15 | 0.1 M MES (pH 6.5) and 14% (w/v) PEG 20,000 |