6XRC
Apo NIS synthetase DesD variant R306Q
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 80 |
Detector technology | CMOS |
Collection date | 2016-11-30 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 74.417, 98.921, 183.352 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.470 - 2.450 |
Rwork | 0.200 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6nl2 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.817 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.120 | 2.530 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.153 | 0.534 |
Rmeas | 0.172 | |
Rpim | 0.063 | |
Number of reflections | 50570 | 4574 |
<I/σ(I)> | 7.7 | 3.4 |
Completeness [%] | 99.9 | |
Redundancy | 7.4 | |
CC(1/2) | 0.993 | 0.964 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.08 mM Tris-HCl, pH 8.5, 160 mM magnesium chloride, 24% PEG4000, 20% glycerol |