4Q6G
Crystal Structure of the C-terminal domain of AcKRS-1 bound with N-acetyl-lysine and ADPNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0809 |
| Spacegroup name | P 64 |
| Unit cell lengths | 105.031, 105.031, 70.731 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 90.909 - 2.250 |
| R-factor | 0.18737 |
| Rwork | 0.186 |
| R-free | 0.21443 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q7g |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.092 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 90.909 | 50.000 | 2.330 |
| High resolution limit [Å] | 2.248 | 4.850 | 2.248 |
| Number of reflections | 21010 | ||
| <I/σ(I)> | 41.2 | 2.6 | |
| Completeness [%] | 98.7 | 100 | 90.6 |
| Redundancy | 7.5 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 50 mM Tris, pH 8.0, 23% PEG2000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
