4QGR
Crystal structure of a DegT DnrJ EryC1 StrS aminotransferase from Brucella abortus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-30 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.12709 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.690, 92.060, 86.410 |
Unit cell angles | 90.00, 96.82, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.750 |
R-factor | 0.1574 |
Rwork | 0.156 |
R-free | 0.18510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nu7 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.461 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.6) |
Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.800 | |
High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
Rmerge | 0.072 | 0.028 | 0.547 |
Number of reflections | 74295 | 840 | 5459 |
<I/σ(I)> | 13.61 | 41.91 | 2.32 |
Completeness [%] | 99.5 | 95.9 | 99 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | BrabA.17333.a.B1.PS02033 at 20 mg/mL against MCSG-1 screen condition F2 0.2 M ammonium acetate, 0.1 M BisTris HCl pH 6.5, 25% PEG 3350 supplemented with 25% ethylene glycol as cryo-protectant, crystal tracking ID 254589f2, unique puck ID xrf9-6, VAPOR DIFFUSION, SITTING DROP, temperature 289K |