6HGF
Crystal structure of Alpha1-antichymotrypsin variant NewBG-II: a new binding globulin in complex with cortisol
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 | 2012-07-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.300, 75.580, 79.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.160 - 1.651 |
| R-factor | 0.1586 |
| Rwork | 0.157 |
| R-free | 0.18730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hgd |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.793 |
| 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] | 34.160 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmeas | 0.063 | 0.536 |
| Number of reflections | 52767 | 8272 |
| <I/σ(I)> | 18.4 | 3.01 |
| Completeness [%] | 99.0 | 97.5 |
| Redundancy | 4.1 | 4.2 |
| CC(1/2) | 0.999 | 0.828 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M ammonium sulfate, 20 % w/v PEG 3350 |
