4HN4
Tryptophan synthase in complex with alpha aminoacrylate E(A-A) form and the F9 inhibitor in the alpha site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2012-01-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 183.970, 59.720, 67.400 |
Unit cell angles | 90.00, 94.69, 90.00 |
Refinement procedure
Resolution | 28.590 - 1.640 |
R-factor | 0.1504 |
Rwork | 0.148 |
R-free | 0.20040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tjp |
RMSD bond length | 0.011 |
RMSD bond angle | 1.427 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.740 |
High resolution limit [Å] | 1.630 |
Rmerge | 0.049 |
Number of reflections | 86376 |
<I/σ(I)> | 12.6 |
Completeness [%] | 95.7 |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 298 | 50 mM Bicine-CsOH, 10% PEG 8000, 2 mM Spermine, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |