4NG4
Structure of phosphoglycerate kinase (CBU_1782) from Coxiella burnetii
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 | 2011-06-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 158.148, 91.568, 88.412 |
| Unit cell angles | 90.00, 102.17, 90.00 |
Refinement procedure
| Resolution | 43.210 - 2.780 |
| R-factor | 0.27432 |
| Rwork | 0.272 |
| R-free | 0.31264 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Homology models of cbu_1782 sequence built on the coordinates of 1ZMR split into two domains |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.195 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.850 |
| High resolution limit [Å] | 2.780 | 2.780 |
| Number of reflections | 30663 | |
| <I/σ(I)> | 11.3 | 2.4 |
| Completeness [%] | 99.3 | 99.9 |
| Redundancy | 3.2 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | Sodium chloride, HEPES, PEG 3000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
