4I1Y
The structure of Cysteine synthase from Mycobacterium ulcerans Agy99
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 | 2010-12-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 |
Unit cell lengths | 58.965, 77.900, 87.101 |
Unit cell angles | 114.21, 104.86, 94.37 |
Refinement procedure
Resolution | 48.710 - 2.600 |
R-factor | 0.2626 |
Rwork | 0.261 |
R-free | 0.29350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rr2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.282 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
Rmerge | 0.052 | 0.020 | 0.432 |
Number of reflections | 40349 | ||
<I/σ(I)> | 12.5 | ||
Completeness [%] | 97.9 | 99.7 | 89.3 |
Redundancy | 3.5 | 3.7 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 27.42 mg/ml MyulA.01147.b, 20% PEG3350, 200mM sodium sulfate, bis-tris propane pH 6.5, 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |