6VYE
6-phosphogluconolactonase from Trypanosoma cruzi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-11 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 71.770, 63.390, 79.320 |
| Unit cell angles | 90.00, 94.91, 90.00 |
Refinement procedure
| Resolution | 49.497 - 1.950 |
| Rwork | 0.231 |
| R-free | 0.26990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eb9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.626 |
| Data reduction software | MOSFLM (7.2.2) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.900 | 50.900 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
| Rmerge | 0.245 | 0.066 | 1.669 |
| Rmeas | 0.288 | 0.079 | 2.014 |
| Rpim | 0.150 | 0.043 | 1.106 |
| Total number of observations | 179047 | 1711 | 8833 |
| Number of reflections | 49639 | 536 | 2851 |
| <I/σ(I)> | 4.9 | 11.7 | 1 |
| Completeness [%] | 95.8 | 93 | 77.7 |
| Redundancy | 3.6 | 3.2 | 3.1 |
| CC(1/2) | 0.971 | 0.993 | 0.472 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.3 | 298 | 0.1 M sodium citrate, 3.5 mM DTT, cryo-soak in 30% glycerol |
