5G1N
Aspartate transcarbamoylase domain of human CAD bound to PALA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-09-25 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.030, 145.120, 83.160 |
| Unit cell angles | 90.00, 120.03, 90.00 |
Refinement procedure
| Resolution | 41.580 - 2.100 |
| R-factor | 0.15518 |
| Rwork | 0.152 |
| R-free | 0.20757 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3csu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.268 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.070 | 0.600 |
| Number of reflections | 92437 | |
| <I/σ(I)> | 13.9 | 2.5 |
| Completeness [%] | 98.0 | 97.9 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 10% ZNCL2, 15% PEG6000, 50 MM SODIUM ACETATE PH 4.8 |
