6HGD
Crystal structure of Alpha1-antichymotrypsin variant NewBG-0: a new binding globulin variant that is devoid of any cortisol-binding capabilities
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.550, 93.130, 49.330 |
| Unit cell angles | 90.00, 110.42, 90.00 |
Refinement procedure
| Resolution | 38.939 - 1.900 |
| R-factor | 0.1499 |
| Rwork | 0.147 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1as4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.798 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.409 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.052 | 0.177 |
| Number of reflections | 27559 | |
| <I/σ(I)> | 20.56 | 7.86 |
| Completeness [%] | 99.2 | |
| Redundancy | 3.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M magnesium chloride hexahydrate, 0.1 M BIS-Tris pH 6.5, 25 % w/v PEG 3350 |
