5DB4
Mycobacterium abscessus NadD in complex with Mg-ATP, space group I41
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-18 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0000 |
Spacegroup name | I 41 |
Unit cell lengths | 67.098, 67.098, 229.538 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.380 - 2.280 |
R-factor | 0.1961 |
Rwork | 0.193 |
R-free | 0.24830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ymi |
RMSD bond length | 0.009 |
RMSD bond angle | 1.279 |
Data reduction software | XDS (November 3, 2014) |
Data scaling software | XSCALE (November 3, 2014 BUILT=20141118) |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 57.380 | 2.340 | |
High resolution limit [Å] | 2.280 | 10.200 | 2.280 |
Rmerge | 0.067 | 0.026 | 1.040 |
Rmeas | 0.075 | 0.029 | 1.155 |
Total number of observations | 118283 | ||
Number of reflections | 22829 | 262 | 1697 |
<I/σ(I)> | 16.8 | 52.22 | 1.69 |
Completeness [%] | 99.1 | 98.1 | 98.7 |
Redundancy | 5.2 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 298 | 0.02M HEPES pH 7.6, 14% PEG3350, 0.002M Mg-ATP |