1S36
Crystal structure of a Ca2+-discharged photoprotein: Implications for the mechanisms of the calcium trigger and the bioluminescence
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-11-20 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 53.445, 53.445, 144.032 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.960 |
R-factor | 0.22459 |
Rwork | 0.223 |
R-free | 0.25922 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jf2 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.207 |
Data reduction software | PROTEUM PLUS |
Data scaling software | LSCALE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.460 | 2.050 |
High resolution limit [Å] | 1.960 | 1.960 |
Number of reflections | 15775 | |
<I/σ(I)> | 9.37 | 2.11 |
Completeness [%] | 1.0 | 0.97 |
Redundancy | 14.91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | modified microbatch | 7.5 | 277 | 1.5 M tri-sodium citrate, 0.1 M Na-HEPES, pH 7.5, modified microbatch, temperature 277K |