6RQQ
X-ray crystal structure of protiated (H) large monoclinic unit cell CA IX SV.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.940, 65.100, 76.290 |
Unit cell angles | 90.00, 92.86, 90.00 |
Refinement procedure
Resolution | 48.879 - 1.276 |
R-factor | 0.1818 |
Rwork | 0.181 |
R-free | 0.19610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dvx |
RMSD bond length | 0.007 |
RMSD bond angle | 0.940 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.500 | 1.280 |
High resolution limit [Å] | 1.270 | 1.270 |
Rmerge | 0.031 | 0.485 |
Number of reflections | 122208 | 5995 |
<I/σ(I)> | 13.1 | 2.1 |
Completeness [%] | 98.4 | 96 |
Redundancy | 3.5 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 30% (w/v) PEG 4000, 0.2 M ammonium formate, 0.1 M Tris-HCl pH 8.5 |