3CSS
Crystal structure of 6-phosphogluconolactonase from Leishmania guyanensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-03 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 69.999, 89.381, 100.521 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.700 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.18500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3ch7 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.040 | 0.021 | 0.409 |
| Number of reflections | 33580 | ||
| <I/σ(I)> | 14.9 | ||
| Completeness [%] | 95.8 | 99.4 | 72.9 |
| Redundancy | 7 | 7.2 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 298 | 40% PEG 400, 0.1 M Sodium acetate, 0.1 M NH4H2PO4 pH 5.0, pH 7.5, VAPOR DIFFUSION, temperature 298K |
