3B2Y
CRYSTAL STRUCTURE OF a putative metallopeptidase (SDEN_2526) FROM SHEWANELLA DENITRIFICANS OS217 AT 1.74 A RESOLUTION
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-09-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9794, 1.0000, 0.9797 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.715, 127.577, 49.303 |
Unit cell angles | 90.00, 116.28, 90.00 |
Refinement procedure
Resolution | 28.820 - 1.740 |
R-factor | 0.176 |
Rwork | 0.175 |
R-free | 0.21500 |
Structure solution method | MAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.669 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.820 | 28.820 | 1.790 |
High resolution limit [Å] | 1.740 | 7.780 | 1.740 |
Rmerge | 0.047 | 0.039 | 0.380 |
Total number of observations | 956 | 6000 | |
Number of reflections | 46761 | ||
<I/σ(I)> | 7.6 | 17.4 | 2 |
Completeness [%] | 94.7 | 79.3 | 95.4 |
Redundancy | 1.9 | 2.1 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.07 | 277 | NANODROP, 20.4% PEG 6000, 0.1M MES pH 6.07, VAPOR DIFFUSION, SITTING DROP, temperature 277K |