4Y63
AAGlyB in complex with amino-acid analogues
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.954 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.840, 149.150, 80.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.300 - 1.300 |
| R-factor | 0.15984 |
| Rwork | 0.159 |
| R-free | 0.18333 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kc1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.298 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.300 | 1.500 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.110 | 0.820 |
| Number of reflections | 77776 | |
| <I/σ(I)> | 14.69 | 2.99 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 13.2 | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG3350 ammonium sulfate MOPS MnCl2 |
