7C5O
Crystal Structure of H177A mutant of Glyceraldehyde-3-phosphate-dehydrogenase1 from Escherichia coli complexed with NAD at 1.98 Angstrom resolution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97776 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 89.972, 89.972, 342.246 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.175 - 1.981 |
R-factor | 0.1486 |
Rwork | 0.146 |
R-free | 0.19140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7c5f |
RMSD bond length | 0.009 |
RMSD bond angle | 1.075 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MLPHARE |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.010 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.179 | 0.489 |
Number of reflections | 98318 | 98318 |
<I/σ(I)> | 21.3 | 6.75 |
Completeness [%] | 99.1 | 97.4 |
Redundancy | 20 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100mM sodium Cacodylate pH 6.5, 18%(w/v)PEG 1000, 200mM MgCl2 |