4MT6
Crystal structure of closed inactive collybistin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2012-07-23 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8726 |
Spacegroup name | I 21 3 |
Unit cell lengths | 217.259, 217.259, 217.259 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 108.629 - 5.501 |
R-factor | 0.2389 |
Rwork | 0.237 |
R-free | 0.28200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.682 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 153.625 | 108.629 | 5.800 |
High resolution limit [Å] | 5.501 | 17.390 | 5.500 |
Rmerge | 0.016 | 0.016 | |
Number of reflections | 5698 | ||
<I/σ(I)> | 10.8 | 5.5 | 0.5 |
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 11 | 9.3 | 11.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 20mM Na-cacodylate, 5mM Co(III)hexamine chloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |