7DA8
X-ray structure of a GB1:T2Q/D46K mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU R-AXIS |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2019-09-06 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.541870 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 59.023, 36.136, 22.053 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.819 - 2.400 |
R-factor | 0.2112 |
Rwork | 0.200 |
R-free | 0.30470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1pgb |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.18) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.820 | 30.820 | 2.540 |
High resolution limit [Å] | 2.400 | 7.610 | 2.410 |
Rmerge | 0.200 | 0.127 | 0.539 |
Rmeas | 0.233 | 0.142 | 0.589 |
Rpim | 0.093 | 0.061 | 0.233 |
Total number of observations | 415 | 1702 | |
Number of reflections | 2003 | 82 | 269 |
<I/σ(I)> | 5.9 | 5.7 | 3.8 |
Completeness [%] | 98.0 | 96.5 | 96.7 |
Redundancy | 6.3 | 5.1 | 6.3 |
CC(1/2) | 0.973 | 0.984 | 0.795 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | MES monohydrate pH 6.5 (buffer system 1), 40% v/v PEG 500* MME, 20 % w/v PEG 20000 (Precipitant mix1) (Morpheus Screen ID 25). |