4MT7
Crystal structure of collybistin I
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 | 2011-07-18 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8726 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 82.930, 165.430, 129.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.893 - 3.500 |
R-factor | 0.2228 |
Rwork | 0.221 |
R-free | 0.24870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.923 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 129.120 | 64.560 | 3.690 |
High resolution limit [Å] | 3.500 | 11.070 | 3.500 |
Rmerge | 0.025 | 0.714 | |
Number of reflections | 11560 | ||
<I/σ(I)> | 9.5 | 22.8 | 1.1 |
Completeness [%] | 99.9 | 98.4 | 100 |
Redundancy | 4.5 | 3.9 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100mM MES, 15% PEG 20000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |