6OK4
Crystal Structure of Glyceraldehyde-3-phosphate dehydrogenase (GAPDH) from Chlamydia trachomatis with bound NAD
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 | 2019-02-28 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.470, 135.290, 137.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.688 - 2.400 |
R-factor | 0.1743 |
Rwork | 0.172 |
R-free | 0.20830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pym |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.688 | 49.688 | 2.460 |
High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
Rmerge | 0.124 | 0.043 | 0.614 |
Rmeas | 0.135 | 0.048 | 0.671 |
Total number of observations | 398110 | ||
Number of reflections | 63802 | 792 | 4663 |
<I/σ(I)> | 11.62 | 28.31 | 3.06 |
Completeness [%] | 99.9 | 97.3 | 100 |
Redundancy | 6.24 | 5.251 | 6.309 |
CC(1/2) | 0.996 | 0.997 | 0.857 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 287 | ChtrB.00839.a.B1.PW38497 (in 25 mM HEPES pH 7.0, 500 mM NaCl, 5% Glycerol , 2 mM DTT, and 0.025% Azide) at 17.29 mg/ml was incubated with 4 mM NAD and a small molecule (that is not in the electron density), then was mixed 1:1 with MCSG1(b9): 20% (w/v) PEG-3350, 0.2 M MgCl2, cryo: 20% ethylene glycol. Tray: 307039b9, puck: unc3-9. |