6OTU
Crystal structure of a glucose-6-phosphate isomerase from Chlamydia trachomatis D/UW-3/Cx
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-03-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 42 2 2 |
| Unit cell lengths | 95.660, 95.660, 124.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.647 - 2.250 |
| R-factor | 0.1599 |
| Rwork | 0.156 |
| R-free | 0.22140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6bzb |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.898 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.647 | 44.647 | 2.310 |
| High resolution limit [Å] | 2.250 | 10.060 | 2.250 |
| Rmerge | 0.100 | 0.032 | 0.599 |
| Rmeas | 0.105 | 0.034 | 0.631 |
| Total number of observations | 271137 | ||
| Number of reflections | 26976 | 347 | 1995 |
| <I/σ(I)> | 16.25 | 42.64 | 3.45 |
| Completeness [%] | 95.9 | 87.6 | 97.6 |
| Redundancy | 10.051 | 8.28 | 10.156 |
| CC(1/2) | 0.998 | 0.999 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 287 | ChtrB.17127.a.B1.PW38523 at 18.94 mg/mL with 3 mM glucose-6-phosphate against MCSG3 screen condition C11 0.1 M Tris pH 8.5, 0.2 M ammonium acetate, 45% MPD, crystal tracking ID 305213c11, unique puck ID lyz8-7 |
