7BR4
Structure of deletion mutant of alpha-glucuronidase (TM0752) from Thermotoga maritima
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2017-07-19 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 75.350, 80.150, 88.860 |
Unit cell angles | 90.00, 102.03, 90.00 |
Refinement procedure
Resolution | 29.460 - 1.950 |
R-factor | 0.1962 |
Rwork | 0.194 |
R-free | 0.23340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vjt |
RMSD bond length | 0.004 |
RMSD bond angle | 0.663 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.4) |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX (1.11.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.450 | 43.450 | 2.000 |
High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
Rmerge | 0.117 | 0.043 | 0.530 |
Rmeas | 0.132 | 0.049 | 0.603 |
Rpim | 0.061 | 0.023 | 0.283 |
Total number of observations | 156648 | ||
Number of reflections | 36415 | 408 | 2586 |
<I/σ(I)> | 6.2 | 2 | |
Completeness [%] | 96.5 | 98.2 | 97.9 |
Redundancy | 4.3 | 4.4 | 4.2 |
CC(1/2) | 0.992 | 0.997 | 0.759 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 300 | 12% PEG 3350, 0.2 M trilithium citrate, 0.1 M imidazole pH 6.0, 2-propanol |