Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-05-23 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0371 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.200, 81.850, 111.740 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.140 - 1.490 |
R-factor | 0.1771 |
Rwork | 0.176 |
R-free | 0.21520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a99 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.521 |
Data reduction software | XDS (20200417) |
Data scaling software | XSCALE (20200417) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.140 | 1.540 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmerge | 0.136 | 4.146 |
Rmeas | 0.142 | 4.315 |
Rpim | 0.040 | 1.187 |
Number of reflections | 56881 | 71875 |
<I/σ(I)> | 11.15 | 0.58 |
Completeness [%] | 100.0 | 99.96 |
Redundancy | 12.7 | 12.9 |
CC(1/2) | 0.999 | 0.328 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 25% (w/v) PEG 3350, 0.1M Sodium Acetate, pH 4.5 |