6MV1
2.15A resolution structure of the CS-b5R domains of human Ncb5or (NAD+ form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.137, 68.628, 57.598 |
Unit cell angles | 90.00, 97.51, 90.00 |
Refinement procedure
Resolution | 34.314 - 2.150 |
R-factor | 0.1852 |
Rwork | 0.183 |
R-free | 0.23010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2eix |
RMSD bond length | 0.009 |
RMSD bond angle | 1.080 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.29) |
Phasing software | PHASER (2.7.17) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.900 | 43.900 | 2.220 |
High resolution limit [Å] | 2.150 | 8.860 | 2.150 |
Rmerge | 0.085 | 0.026 | 0.679 |
Total number of observations | 80292 | ||
Number of reflections | 23683 | 359 | 2067 |
<I/σ(I)> | 10.8 | ||
Completeness [%] | 99.8 | 98 | 99.7 |
Redundancy | 3.4 | 3.3 | 3.3 |
CC(1/2) | 0.997 | 0.999 | 0.776 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 10% (w/v) PEG 6000, 0.1 M Hepes, 0.2 M NDSB-201 |