7ZQQ
Molybdenum storage protein - LB131H
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 | 2020-11-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.214 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 115.040, 115.040, 234.410 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.845 - 1.750 |
R-factor | 0.2072 |
Rwork | 0.206 |
R-free | 0.22010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ndo |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.845 | 45.845 | 1.850 |
High resolution limit [Å] | 1.750 | 12.000 | 1.750 |
Rmerge | 0.104 | 0.073 | 0.939 |
Rmeas | 0.123 | 0.089 | 1.116 |
Total number of observations | 599725 | ||
Number of reflections | 173868 | 472 | 26755 |
<I/σ(I)> | 7.96 | 15.87 | 1.87 |
Completeness [%] | 99.3 | 84.6 | 99.5 |
Redundancy | 3.449 | 3.068 | 3.31 |
CC(1/2) | 0.991 | 0.981 | 0.657 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.6 | 293 | 0.1 M sodium citrate, pH 5.6, 0.7 M NH4H2PO4 |