3HC2
Crystal Structure of chicken sulfite oxidase mutant Tyr 322 Phe
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-17 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97903 |
Spacegroup name | I 41 |
Unit cell lengths | 86.449, 86.449, 153.782 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.840 - 2.500 |
R-factor | 0.17749 |
Rwork | 0.175 |
R-free | 0.22183 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a99 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.369 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.840 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 19498 | |
<I/σ(I)> | 39.8 | 5.4 |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 6.6 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 10% PEG 5000 MME, 100 mM Magnesium acetate, 100 mM Sodium Citrate pH5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |