3M1U
Crystal structure of a Putative gamma-D-glutamyl-L-diamino acid endopeptidase (DVU_0896) from DESULFOVIBRIO VULGARIS HILDENBOROUGH at 1.75 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-24 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91162,0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.337, 54.465, 122.982 |
| Unit cell angles | 90.00, 94.06, 90.00 |
Refinement procedure
| Resolution | 29.594 - 1.750 |
| R-factor | 0.141 |
| Rwork | 0.139 |
| R-free | 0.17300 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.499 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.594 | 29.594 | 1.810 |
| High resolution limit [Å] | 1.750 | 3.760 | 1.750 |
| Rmerge | 0.045 | 0.019 | 0.446 |
| Number of reflections | 78779 | 15081 | 14226 |
| <I/σ(I)> | 11.19 | 32.1 | 2 |
| Completeness [%] | 98.1 | 96.4 | 96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 1.0000M LiCl, 20.0000% PEG-6000, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
