6XAL
Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Val)
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 | 2018-02-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.826 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.805, 56.282, 56.094 |
Unit cell angles | 90.00, 101.74, 90.00 |
Refinement procedure
Resolution | 39.307 - 1.349 |
R-factor | 0.1976 |
Rwork | 0.197 |
R-free | 0.22870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6xai |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.307 | 1.400 |
High resolution limit [Å] | 1.349 | 1.350 |
Rmerge | 0.049 | 0.901 |
Rmeas | 0.053 | 0.988 |
Number of reflections | 74183 | 7153 |
<I/σ(I)> | 16.69 | 1.51 |
Completeness [%] | 99.0 | 95.79 |
Redundancy | 6.7 | 6 |
CC(1/2) | 0.999 | 0.665 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 23% PEG 3350, 100 mM DL-malic acid, 2.5% ethylene glycol |