4D7Z
E. coli L-aspartate-alpha-decarboxylase mutant N72Q to a resolution of 1.9 Angstroms
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 | 2014-09-02 |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 71.350, 71.350, 112.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.220 - 1.900 |
R-factor | 0.18894 |
Rwork | 0.186 |
R-free | 0.24418 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aw8 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.737 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.260 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.140 | 0.640 |
Number of reflections | 11805 | |
<I/σ(I)> | 9.9 | 2.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.4 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | ADC.PANZ COMPLEX WAS PREPARED IN A 10: 11 RATIO AT A FINAL CONCENTRATION OF 5.7 MG/ML WITH A 2-FOLD MOLAR EXCESS (RELATIVE TO PANZ) OF ACETYLCOA IN 0.05 M TRIS-HCL PH 7.69, 0.1 M NACL, 0.1 MM DTT. THIS WAS MIXED IN A 1:1 RATIO WITH RESERVOIR SOLUTION (0.2 M POTASSIUM THIOCYANATE, 0.1 M BIS- TRIS PROPANE PH 6.8, 20 % W/V PEG 3350) AND CRYSTALLIZED BY HANGING DROP VAOUR DIFFUSION (4 UL DROPLET OVER A 1 ML RESERVOIR). |