3SID
Crystal structure of oxidized Symerythrin from Cyanophora paradoxa, azide adduct at 50% occupancy
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97650 |
Spacegroup name | P 32 |
Unit cell lengths | 82.009, 82.009, 46.440 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.740 - 1.400 |
R-factor | 0.11727 |
Rwork | 0.115 |
R-free | 0.15618 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qhb |
RMSD bond length | 0.025 |
RMSD bond angle | 2.101 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.740 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.441 | |
Number of reflections | 68857 | |
<I/σ(I)> | 18.9 | 5.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.2 | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 279 | 25% PEG 3350, 0.1M BisTris, 0.35M NH4Cl, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K |