Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-07-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9791 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 83.317, 83.317, 181.066 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.880 - 2.250 |
R-factor | 0.2242 |
Rwork | 0.222 |
R-free | 0.25750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1erk |
RMSD bond length | 0.008 |
RMSD bond angle | 1.460 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.880 | 48.880 | 2.320 |
High resolution limit [Å] | 2.250 | 9.000 | 2.250 |
Rmerge | 0.156 | 0.098 | 2.484 |
Rmeas | 0.164 | 0.108 | 2.613 |
Rpim | 0.050 | 0.041 | 0.802 |
Total number of observations | 5255 | 28538 | |
Number of reflections | 31175 | 594 | 2803 |
<I/σ(I)> | 10.6 | 23.8 | 2.1 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 10.7 | 8.8 | 10.2 |
CC(1/2) | 0.857 | 0.867 | 0.562 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 277 | 1.8M MgSO4; 0.1M MES |