5BXI
1.7 Angstrom Resolution Crystal Structure of Putative Nucleoside Diphosphate Kinase from Toxoplasma gondii with Tyrosine of Tag Bound to Active Site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-03-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97890 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 236.814, 73.400, 122.671 |
| Unit cell angles | 90.00, 116.83, 90.00 |
Refinement procedure
| Resolution | 29.980 - 1.700 |
| R-factor | 0.15551 |
| Rwork | 0.154 |
| R-free | 0.19170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4o0n |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.398 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.059 | 0.482 |
| Number of reflections | 202729 | |
| <I/σ(I)> | 22 | 3.2 |
| Completeness [%] | 98.5 | 99.9 |
| Redundancy | 4.9 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | Protein:7.5 mG/mL, 0.5 M Sodium chloride, 0.01 M Tris-HCL buffer pH 8.3; Screen: PACT (B10), 0.2 M Magnesium chloride, 0.1 M MES pH 6.0, 20% (w/v) PEG 6000 |
