3GB0
Crystal structure of aminopeptidase PepT (NP_980509.1) from Bacillus cereus ATCC 10987 at 2.04 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 | 2009-01-17 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91162, 0.97959 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 141.311, 58.147, 51.368 |
| Unit cell angles | 90.00, 91.75, 90.00 |
Refinement procedure
| Resolution | 29.463 - 2.040 |
| R-factor | 0.171 |
| Rwork | 0.169 |
| R-free | 0.21200 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.635 |
| 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] | 29.463 | 29.463 | 2.110 |
| High resolution limit [Å] | 2.040 | 4.380 | 2.040 |
| Rmerge | 0.070 | 0.020 | 0.556 |
| Number of reflections | 26596 | 5141 | 4867 |
| <I/σ(I)> | 33.2 | 1.7 | |
| Completeness [%] | 98.3 | 97.5 | 96.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | NANODROP, 10.0% Glycerol, 5.0% PEG 1000, 30.0% PEG 600, 0.1M MES pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
