4HJD
GCN4pLI derivative with alpha/beta/acyclic-gamma amino acid substitution pattern
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 46.920, 51.490, 31.030 |
| Unit cell angles | 90.00, 128.87, 90.00 |
Refinement procedure
| Resolution | 17.620 - 1.700 |
| R-factor | 0.2525 |
| Rwork | 0.251 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gcl |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.906 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0009) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 17.620 | 1.740 | |
| High resolution limit [Å] | 1.700 | 1.700 | |
| Number of reflections | 6350 | 477 | 446 |
| <I/σ(I)> | 23.38 | 3.76 | |
| Completeness [%] | 98.3 | 98.8 | |
| Redundancy | 3.72 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.1 M NaOAc, 8% w/v PEG4000, cryoprotected by addition of 24% PEG4000 to mother liquor, precipitant solution combined 1+1 uL with peptide stock at 10 mg/mL, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
