6ADU
Crystal structure of an enzyme in complex with ligand C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-07-26 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 87.773, 256.546, 36.043 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.670 - 1.960 |
| R-factor | 0.18738 |
| Rwork | 0.184 |
| R-free | 0.24675 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yvk |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.463 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
| Rmerge | 0.088 | 0.050 | 0.509 |
| Rmeas | 0.091 | 0.052 | 0.527 |
| Rpim | 0.024 | 0.015 | 0.133 |
| Total number of observations | 862118 | ||
| Number of reflections | 58487 | 5994 | 5880 |
| <I/σ(I)> | 6.5 | ||
| Completeness [%] | 97.6 | 93.6 | 99.9 |
| Redundancy | 14.7 | 11.9 | 15.4 |
| CC(1/2) | 0.998 | 0.963 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 1.0M sodium citrate, 0.1M Imidazole pH 8.0 |
