2OTO
N-terminal fragment of Streptococcus pyogenes M1 protein
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97929,0.97945,0.95666,1.008 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 119.374, 83.405, 93.467 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.760 - 3.040 |
R-factor | 0.337 |
Rwork | 0.337 |
R-free | 0.33800 |
Structure solution method | MAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.361 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE (2.09) |
Refinement software | REFMAC (refmac_5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.140 |
High resolution limit [Å] | 3.030 | 3.030 |
Rmerge | 0.076 | 0.376 |
Number of reflections | 18530 | |
<I/σ(I)> | 7.9 | |
Completeness [%] | 99.4 | 98.5 |
Redundancy | 5.7 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 277 | 32% MPD, 0.3M ammonium acetate, 0.1M sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 277 | 32% MPD, 0.3M ammonium acetate, 0.1M sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 277 | 32% MPD, 0.3M ammonium acetate, 0.1M sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 277 | 32% MPD, 0.3M ammonium acetate, 0.1M sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.1 | 277 | 32% MPD, 0.3M ammonium acetate, 0.1M sodium citrate, pH 6.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K |