4XCM
Crystal structure of the putative NlpC/P60 D,L endopeptidase from T. thermophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 61 |
| Unit cell lengths | 71.600, 71.600, 197.790 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.584 - 2.650 |
| R-factor | 0.1986 |
| Rwork | 0.194 |
| R-free | 0.23830 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.706 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.650 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.060 | 0.750 |
| Number of reflections | 34817 | |
| <I/σ(I)> | 15.3 | 2.1 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 5.9 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 292 | 0.1 M sodium citrate pH 5.5, 16% PEG 4000, 15% 2-propanol |
