Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.15 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 234.282, 253.842, 73.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 117.140 - 2.900 |
R-factor | 0.2426 |
Rwork | 0.241 |
R-free | 0.26890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e9o 1rz7 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.197 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 172.163 | 117.141 | 3.060 |
High resolution limit [Å] | 2.905 | 9.190 | 2.900 |
Rmerge | 0.048 | 1.433 | |
Rmeas | 0.179 | 0.053 | 1.559 |
Rpim | 0.071 | 0.021 | 0.607 |
Total number of observations | 301272 | 9954 | 45454 |
Number of reflections | 48731 | 1682 | 7089 |
<I/σ(I)> | 8.3 | 24.3 | 1.4 |
Completeness [%] | 99.4 | 99 | 99.8 |
Redundancy | 6.2 | 5.9 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 295 | 20% PEG 3350, 200mM sodium malonate |