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 |