6RQN
X-ray crystal structure of protiated (H) small monoclinic unit cell CA IX SV.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-05-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.319, 65.131, 46.732 |
Unit cell angles | 90.00, 115.08, 90.00 |
Refinement procedure
Resolution | 34.171 - 1.777 |
R-factor | 0.1716 |
Rwork | 0.170 |
R-free | 0.20520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dvx |
RMSD bond length | 0.007 |
RMSD bond angle | 0.894 |
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] | 50.000 | 1.880 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.063 | 0.486 |
Number of reflections | 22187 | 3463 |
<I/σ(I)> | 10.5 | 2.2 |
Completeness [%] | 95.1 | 92.9 |
Redundancy | 2.8 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 30% (w/v) PEG 4000, 0.2 M sodium acetate, 0.1 M Tris-HCl pH 8.5 |