7SU7
Dihydroneopterin aldolase (DHNA) from Yersinia pestis co-crystallized with product
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-13 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 71.524, 81.185, 96.249 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.400 - 2.090 |
R-factor | 0.1825 |
Rwork | 0.179 |
R-free | 0.23570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ojo |
RMSD bond length | 0.009 |
RMSD bond angle | 0.920 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.980 |
High resolution limit [Å] | 1.950 | 5.290 | 1.950 |
Rmerge | 0.268 | 0.098 | 1.500 |
Rmeas | 0.307 | 0.115 | 1.784 |
Rpim | 0.148 | 0.058 | 0.950 |
Total number of observations | 171031 | ||
Number of reflections | 41395 | 2250 | 2001 |
<I/σ(I)> | 3.1 | ||
Completeness [%] | 99.4 | 98.9 | 95.9 |
Redundancy | 4.1 | 3.3 | 3.2 |
CC(1/2) | 0.977 | 0.331 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.05 - 0.1M BisTris, 0.1-0.2 M CaCl2, 0 - 0.1M NaCl, 43 - 49% MPD |