4FFA
Sulfatase from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0793478 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.752, 128.472, 139.332 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.603 - 2.500 |
R-factor | 0.2197 |
Rwork | 0.217 |
R-free | 0.27240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oih |
RMSD bond length | 0.007 |
RMSD bond angle | 1.057 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.073 | 0.413 |
Number of reflections | 40338 | |
<I/σ(I)> | 18.7 | |
Completeness [%] | 98.4 | 96.8 |
Redundancy | 5 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 22% w/v PEG2000, 300 mM magnesium nitrate, 100 mM Tris, pH 8.0, 2% MPD, 2-3 days, VAPOR DIFFUSION, HANGING DROP, temperature 291K |