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 |
