3QUA
Crystal structure of a putative uncharacterized protein and possible Molybdenum cofactor protein from Mycobacterium smegmatis
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 | 2011-02-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97946 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 123.690, 123.690, 64.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.1677 |
Rwork | 0.165 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a33 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.362 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.150 | |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.089 | 0.023 | 0.402 |
Number of reflections | 29503 | 397 | 2185 |
<I/σ(I)> | 23.67 | 59.89 | 6.61 |
Completeness [%] | 98.9 | 98.5 | 100 |
Redundancy | 12.4 | 12.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | MysmA.00620.b.A1.PW29675 at 15.2 mg/mL against PACT screen condition H12, 0.2 M Na malonate, 0.1 M BisTris propane pH 8.5, 20% PEG 3350, crystal tracking ID 216038h12, VAPOR DIFFUSION, SITTING DROP, temperature 289K |