6SM0
Venus 66 p-Azido-L-Phenylalanin (azF) variant, dark grown
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.947, 63.251, 69.915 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.950 - 1.910 |
| R-factor | 0.1976 |
| Rwork | 0.195 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4j8a |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.785 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.2) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 63.250 | 63.250 | 1.960 |
| High resolution limit [Å] | 1.910 | 8.540 | 1.910 |
| Rmerge | 0.164 | 0.066 | 1.145 |
| Rmeas | 0.181 | 0.073 | 1.353 |
| Rpim | 0.075 | 0.030 | 0.701 |
| Total number of observations | 103864 | 1381 | 4920 |
| Number of reflections | 18146 | 250 | 1317 |
| <I/σ(I)> | 7.4 | 13.8 | 1.8 |
| Completeness [%] | 99.9 | 99.9 | 99.9 |
| Redundancy | 5.7 | 5.5 | 3.7 |
| CC(1/2) | 0.989 | 0.997 | 0.355 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 10mM Zn Cl2, 100 mM Na acetate, 20% PEG 6000 |
