8ACW
X-ray structure of Na+-NQR from Vibrio cholerae at 3.4 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-09 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.91 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.720, 142.940, 103.390 |
Unit cell angles | 90.00, 109.93, 90.00 |
Refinement procedure
Resolution | 48.600 - 3.400 |
R-factor | 0.2722 |
Rwork | 0.270 |
R-free | 0.30610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4P6V |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.600 | 48.600 | 3.600 |
High resolution limit [Å] | 3.400 | 10.000 | 3.400 |
Rmerge | 0.266 | 0.053 | 7.020 |
Rmeas | 0.269 | 0.053 | 7.075 |
Total number of observations | 2202591 | ||
Number of reflections | 35115 | 1421 | 5501 |
<I/σ(I)> | 13.61 | 78.77 | 0.63 |
Completeness [%] | 99.3 | 97.8 | 99 |
Redundancy | 62.725 | 58.228 | 63.352 |
CC(1/2) | 1.000 | 1.000 | 0.321 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 40 mM KSCN, 21.0% PEG 2000MME, 100 mM Tris-acetic acid, 8% 1-propanol |