4Y0E
X-ray Crystal Structure of a putative dioxygenase from Mycobacterium abscessus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-24 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97740 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 103.900, 92.980, 136.980 |
| Unit cell angles | 90.00, 96.11, 90.00 |
Refinement procedure
| Resolution | 45.401 - 1.900 |
| R-factor | 0.1616 |
| Rwork | 0.160 |
| R-free | 0.19520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gy9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.071 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 | |
| High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
| Rmerge | 0.067 | 0.015 | 0.496 |
| Rmeas | 0.076 | 0.018 | 0.565 |
| Total number of observations | 855962 | ||
| Number of reflections | 201264 | 2351 | 14644 |
| <I/σ(I)> | 17.18 | 50.21 | 3.15 |
| Completeness [%] | 98.7 | 98.1 | 97.7 |
| Redundancy | 4.25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | Mopheus A12: 0.06 M divalents (MgCl2, CaCl2), 0.1 M TRIS/Bicine pH 8.50, 37.5% v/v MPD + PEG 1000 + PEG 3350 |
