2VFB
The structure of Mycobacterium marinum arylamine N-acetyltransferase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 51.526, 51.526, 175.299 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.060 - 2.000 |
R-factor | 0.191 |
Rwork | 0.189 |
R-free | 0.23400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gx3 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.843 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.500 | 2.110 |
High resolution limit [Å] | 1.450 | 2.000 |
Rmerge | 0.090 | 0.480 |
Number of reflections | 16884 | |
<I/σ(I)> | 6.7 | 1.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.9 | 9.24 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 200MM CACL2, 100MM HEPES, PH7.5, 28% POLY(ETHYLENE GLYCOL) 400 |