6YPA
The C146A variant of an amidase from Pyrococcus horikoshii with bound glutaramide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-02-14 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.684, 100.639, 134.096 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.492 - 1.580 |
| R-factor | 0.2082 |
| Rwork | 0.206 |
| R-free | 0.23980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j31 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 100.640 | 100.840 | 1.610 |
| High resolution limit [Å] | 1.580 | 4.290 | 1.580 |
| Rmeas | 0.125 | 0.043 | 2.971 |
| Rpim | 0.042 | 0.015 | 1.036 |
| Total number of observations | 1264338 | 65516 | 57570 |
| Number of reflections | 144086 | 7653 | 7104 |
| <I/σ(I)> | 8.8 | 46.1 | 0.4 |
| Completeness [%] | 100.0 | 100 | 99.8 |
| Redundancy | 8.8 | 8.6 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | 2.5-4.0 mg/ml protein, 0.1 M Imidazole, MES monohydrate (acid) buffer at pH 6.5, 20% v/v Glycerol, 10% w/v PEG 4000, 0.2M Glutaramide |
