Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-01 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.934 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 91.392, 141.363, 87.898 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.949 - 3.694 |
R-factor | 0.2337 |
Rwork | 0.229 |
R-free | 0.27620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kpb |
RMSD bond length | 0.004 |
RMSD bond angle | 0.683 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.949 | 3.760 |
High resolution limit [Å] | 3.690 | 3.690 |
Rmeas | 0.052 | 0.485 |
Rpim | 0.023 | 0.209 |
Number of reflections | 11864 | 11864 |
<I/σ(I)> | 21 | 3.4 |
Completeness [%] | 98.7 | 90.7 |
Redundancy | 5.3 | 5.2 |
CC(1/2) | 0.990 | 0.910 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1M HEPES pH 7.5, 4 M NaCl |