4I4O
BEL beta-trefoil apo crystal form 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-11-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.03320 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.530, 66.830, 63.940 |
Unit cell angles | 90.00, 96.10, 90.00 |
Refinement procedure
Resolution | 29.579 - 1.120 |
R-factor | 0.1513 |
Rwork | 0.151 |
R-free | 0.15970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4i4p |
RMSD bond length | 0.005 |
RMSD bond angle | 1.146 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.600 | 1.180 |
High resolution limit [Å] | 1.120 | 1.120 |
Rmerge | 0.032 | 0.092 |
Number of reflections | 103662 | |
<I/σ(I)> | 18 | 8.8 |
Completeness [%] | 93.8 | 81.6 |
Redundancy | 2.7 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris-HCl, 1.5 M ammonium sulfate, 10% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |