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 |