1W2Z
PSAO and Xenon
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-01-30 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.507, 196.268, 89.665 |
Unit cell angles | 90.00, 107.46, 90.00 |
Refinement procedure
Resolution | 29.880 - 2.240 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ksi |
RMSD bond length | 0.012 |
RMSD bond angle | 1.322 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.820 | 2.300 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.070 | 0.170 |
Number of reflections | 141039 | |
<I/σ(I)> | 17 | 7.7 |
Completeness [%] | 99.8 | 98.9 |
Redundancy | 4.75 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | HANGING DROP VAPOR DIFFUSION AT 293K. RESERVOIR WAS 20% PEG 3350, 0.28M KI. DROPS WERE 2 MICROL OF PSAO AT 21.58MG/ML IN 0.1M KPO4 PH 7.2, PLUS 1 MICROL OF 0.1M KPO4 PH 7.5, PLUS 1 MICROL OF RESERVOIR SOLUTION. THE CRYSTAL WAS CRYOPROTECTED BY SOAKING FOR 5 MIN IN 5 MICROL OF 0.2M KI, 25% PEG 3350 AND 15% GLYCEROL UNDER 30MICROL OF PARAFFIN IN A SITTING DROP DEPRESSION. THE CRYSTAL WAS EXPOSED TO XENON GAS FOR 5 MINUTES, INITIALLY AT PRESSURE OF 100 PSI THEN INCREASING TO A FINAL PRESSURE OF 220 PSI, USING A XENON CHAMBER (HAMPTON RESEARCH). AFTER THE XENON WAS RELEASED FROM THE CHAMBER, THE CRYSTAL WAS SNAP-FROZEN IN LIQUID NITROGEN WITHIN 1-3 S. |