6KIL
N21Q mutant thioredoxin from Halobacterium salinarum NRC-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-01-30 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.917, 43.283, 54.435 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.710 - 1.600 |
R-factor | 0.1771 |
Rwork | 0.177 |
R-free | 0.18670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2e0q |
RMSD bond length | 0.005 |
RMSD bond angle | 1.051 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.064 | 0.383 |
Rmeas | 0.069 | 0.413 |
Rpim | 0.026 | 0.154 |
Number of reflections | 13317 | 647 |
<I/σ(I)> | 12.9 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.9 | 7 |
CC(1/2) | 0.999 | 0.939 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1 M Tris-HCl buffer (pH8.5), 2.0 M ammonium sulfate, 12.7 mg/mL of protein |