6N01
Structure of apo AztD from Citrobacter koseri
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-30 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.866, 127.854, 113.155 |
Unit cell angles | 90.00, 94.51, 90.00 |
Refinement procedure
Resolution | 48.431 - 1.980 |
R-factor | 0.1954 |
Rwork | 0.195 |
R-free | 0.23790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6cmk |
RMSD bond length | 0.013 |
RMSD bond angle | 1.259 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.430 | 2.010 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.072 | 0.524 |
Rmeas | 0.085 | 0.621 |
Rpim | 0.044 | 0.326 |
Number of reflections | 110365 | 16782 |
<I/σ(I)> | 9.7 | 2.1 |
Completeness [%] | 98.6 | 96.4 |
Redundancy | 3.4 | 3.1 |
CC(1/2) | 0.997 | 0.758 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 6 | 292 | 10 mg/mL protein was combined in a 1:1 ratio with 24% PEG 4000, 0.1 M sodium nitrate, 0.1 M MES pH 6.0 |