3KD4
CRYSTAL STRUCTURE OF A PUTATIVE PROTEASE (BDI_1141) FROM PARABACTEROIDES DISTASONIS ATCC 8503 AT 2.00 A RESOLUTION
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-11 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837,0.97913,0.97860 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.167, 159.397, 78.230 |
| Unit cell angles | 90.00, 91.64, 90.00 |
Refinement procedure
| Resolution | 28.928 - 2.000 |
| R-factor | 0.172 |
| Rwork | 0.170 |
| R-free | 0.20000 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.523 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.928 | 28.928 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.300 | 2.000 |
| Rmerge | 0.085 | 0.032 | 0.559 |
| Number of reflections | 125591 | 24218 | 23453 |
| <I/σ(I)> | 7.59 | 21.1 | 1.6 |
| Completeness [%] | 96.9 | 96.3 | 95.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.67 | 277 | 25.0000% Glycerol, 1.1000M ammonium dihydrogen phosphate, 0.1M citric acid pH 5.67, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K |
