4U9Q
Crystal structure of NqrA in spacegroup P21
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.183, 81.703, 85.065 |
Unit cell angles | 90.00, 92.71, 90.00 |
Refinement procedure
Resolution | 37.693 - 2.100 |
R-factor | 0.2026 |
Rwork | 0.201 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u9o |
RMSD bond length | 0.003 |
RMSD bond angle | 0.756 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.000 | 2.200 | |
High resolution limit [Å] | 2.100 | 10.000 | 2.100 |
Rmerge | 0.128 | 0.034 | 1.351 |
Rmeas | 0.147 | 0.039 | 1.547 |
Total number of observations | 187588 | ||
Number of reflections | 44861 | 433 | 5811 |
<I/σ(I)> | 8.02 | 27.15 | 1.2 |
Completeness [%] | 99.9 | 97.1 | 99.9 |
Redundancy | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES NaOH pH 7.5, 25% PEG 3350, 0.2 M NaCl |