1A47
CGTASE FROM THERMOANAEROBACTERIUM THERMOSULFURIGENES EM1 IN COMPLEX WITH A MALTOHEXAOSE INHIBITOR
Experimental procedure
Source type | ROTATING ANODE |
Source details | ELLIOTT GX-21 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 1996-04-08 |
Detector | MAC Science DIP-2020 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.996, 97.789, 116.263 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.560 |
R-factor | 0.186 * |
Rwork | 0.186 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ciu |
RMSD bond length | 0.003 |
RMSD bond angle | 17.500 * |
Data reduction software | XDS |
Data scaling software | BIOMOL ((KBAPLY)) |
Phasing software | BIOMOL |
Refinement software | TNT (5D) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.070 | 2.580 |
High resolution limit [Å] | 2.560 | 2.560 |
Rmerge | 0.068 | 0.215 |
Total number of observations | 181769 * | |
Number of reflections | 25423 | |
<I/σ(I)> | 9.3 | 4.9 |
Completeness [%] | 91.1 | 74.3 |
Redundancy | 5.9 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7.6 * | 21% SATURATED AMMONIUM SULFATE, 100 MM TRIS, PH 7.7 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | ammonium sulfate | 21 (%sat) | |
2 | 1 | 1 | Tris-HCl | 100 (mM) |