5AE0
Perdeuterated mouse CNPase catalytic domain at atomic resolution
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 | 2013-01-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.650, 47.560, 51.220 |
| Unit cell angles | 90.00, 97.51, 90.00 |
Refinement procedure
| Resolution | 29.287 - 1.040 |
| R-factor | 0.1276 |
| Rwork | 0.127 |
| R-free | 0.15630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wut |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.618 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.070 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.070 | 1.260 |
| Number of reflections | 90347 | |
| <I/σ(I)> | 9.6 | 1.1 |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 3.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 25% PEG3350, 50 MM ACETATE, PD 3.5 |
