4POB
Crystal structure of a thioredoxin Rv1471 ortholog from Mycobacterium abscessus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.500, 47.490, 108.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.870 - 1.700 |
R-factor | 0.1669 |
Rwork | 0.165 |
R-free | 0.19770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2l4q |
RMSD bond length | 0.011 |
RMSD bond angle | 1.517 |
Data scaling software | XSCALE |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.740 | |
High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
Rmerge | 0.051 | 0.019 | 0.523 |
Number of reflections | 21770 | 268 | 1590 |
<I/σ(I)> | 20.22 | 55.42 | 3.03 |
Completeness [%] | 98.5 | 89.6 | 99.9 |
Redundancy | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 289 | SSGCID-MyabA.01255.a at 15.42 mg/mL against MCSG screen condition B4, 0.2 M sodium thiocyanate pH 6.9, 25% PEG 3350 supplemented with 20% ethylene glycol as cryo-protectant, crystal tracking ID 252343d4, unique puck ID ekd3-10, VAPOR DIFFUSION, SITTING DROP, temperature 289K |