6J03
Crystal structure of a cyclase mutant in apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-06-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 54.779, 54.779, 152.416 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.120 - 1.480 |
| R-factor | 0.11 |
| Rwork | 0.108 |
| R-free | 0.14030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yvk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.441 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 1.530 |
| High resolution limit [Å] | 1.480 | 3.190 | 1.480 |
| Rmerge | 0.037 | 0.022 | 0.200 |
| Rmeas | 0.043 | 0.026 | 0.242 |
| Rpim | 0.022 | 0.014 | 0.133 |
| Total number of observations | 168760 | ||
| Number of reflections | 44964 | 4797 | 4314 |
| <I/σ(I)> | 13.4 | ||
| Completeness [%] | 99.5 | 99.5 | 98.2 |
| Redundancy | 3.8 | 3.6 | 3 |
| CC(1/2) | 0.999 | 0.938 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | PEG3350, Tryptone, 0.1 M HEPES pH 7.0 |
