6LJI
X-ray structure of synthetic GB1 domain with mutations K10(DVA), T11V
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2019-07-30 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 90.722, 23.066, 48.395 |
Unit cell angles | 90.00, 109.04, 90.00 |
Refinement procedure
Resolution | 23.636 - 1.843 |
R-factor | 0.2805 |
Rwork | 0.278 |
R-free | 0.32810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qmt |
RMSD bond length | 0.006 |
RMSD bond angle | 0.743 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.090 | 38.090 | 1.880 |
High resolution limit [Å] | 1.840 | 9.030 | 1.840 |
Rmerge | 0.020 | 0.010 | 0.057 |
Rmeas | 0.023 | 0.012 | 0.068 |
Rpim | 0.011 | 0.006 | 0.036 |
Total number of observations | 32240 | 279 | 1302 |
Number of reflections | 8079 | 84 | 402 |
<I/σ(I)> | 36.3 | 45.6 | 13.8 |
Completeness [%] | 96.0 | 95.7 | 78.9 |
Redundancy | 4 | 3.3 | 3.2 |
CC(1/2) | 1.000 | 1.000 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 294 | 20% PEG 4000, 0.1M MES pH 6.0 |