6CWA
CRYSTAL STRUCTURE PHGDH IN COMPLEX WITH NADH AND 3-PHOSPHOGLYCERATE AT 1.77 A RESOLUTION
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 | 2014-06-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 |
Unit cell lengths | 43.110, 59.620, 63.480 |
Unit cell angles | 89.64, 89.83, 79.36 |
Refinement procedure
Resolution | 28.360 - 1.770 |
R-factor | 0.193 |
Rwork | 0.192 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2g76 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev_1702) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.360 | 1.820 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.050 | 0.500 |
Number of reflections | 58407 | |
<I/σ(I)> | 15.19 | 2.8 |
Completeness [%] | 96.5 | 95.1 |
Redundancy | 2.65 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 100 MM IMIDAZOLE PH 6.5, 20% PEG 3350, 100 MM MAGNESIUM CHLORIDE, 2M NACL, 1MM NADH; SOAK OVERNIGHT IN CRYSTALLIZATION SOLUTION PLUS 5 MM 3- PHOSPHOGLYCERATE; 20% EG CRYO, VAPOR DIFFUSION, TEMPERATURE 289K |