7CTL
Crystal structure of NADH bound holo form of alpha-glucuronidase (TM0752) from Thermotoga maritima at 1.97 Angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-08-05 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 72.720, 81.280, 89.000 |
Unit cell angles | 90.00, 103.03, 90.00 |
Refinement procedure
Resolution | 29.650 - 1.970 |
R-factor | 0.1785 |
Rwork | 0.176 |
R-free | 0.22260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6kcx |
RMSD bond length | 0.007 |
RMSD bond angle | 0.804 |
Data reduction software | MOSFLM (7.2.1) |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.650 | 29.650 | 2.020 |
High resolution limit [Å] | 1.970 | 9.030 | 1.970 |
Rmerge | 0.141 | 0.035 | 1.272 |
Rmeas | 0.153 | 0.038 | 1.382 |
Rpim | 0.059 | 0.014 | 0.533 |
Total number of observations | 233223 | ||
Number of reflections | 35756 | 379 | 2570 |
<I/σ(I)> | 9.6 | 32.5 | 1.5 |
Completeness [%] | 100.0 | 97.2 | 100 |
Redundancy | 6.5 | 6.8 | 6.7 |
CC(1/2) | 0.996 | 0.998 | 0.596 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 14 % PEG 3350, 0.2 M trilithium citrate, 0.1 M imidazole with pH 5.8, 2-propanol, 7 mM NADH, 7 mM DTT |