2XCU
Membrane-embedded monofunctional glycosyltransferase WaaA of Aquifex aeolicus, complex with CMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-01-23 |
Detector | MARRESEARCH SX-165 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 131.770, 44.670, 143.640 |
Unit cell angles | 90.00, 97.15, 90.00 |
Refinement procedure
Resolution | 31.220 - 2.420 |
R-factor | 0.20478 |
Rwork | 0.202 |
R-free | 0.25087 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xci |
RMSD bond length | 0.015 |
RMSD bond angle | 1.587 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.850 | 2.550 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmerge | 0.040 | 0.140 |
Number of reflections | 62789 | |
<I/σ(I)> | 21.3 | 6.8 |
Completeness [%] | 97.2 | 88.3 |
Redundancy | 3.6 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | HANGING-DROP VAPOR-DIFFUSION TECHNIQUE MIXING EQUAL VOLUMES OF PROTEIN SOLUTION (10-15 MG/ML, 25 MM TRIS-HCL, PH 8.7, 0.1 M NACL, 10% GLYCEROL, 2 MM CYMAL-6, 5 MM 2-MERCAPTOETHANOL) AND RESERVOIR (100 MM TRIS-HCL, PH 8.5, 35-40% (V/V) PEG 400, 200 MM NA-CITRATE, 50 MM 2-MERCAPTOETHANOL); SOAKING CRYSTALS IN 100 MM TRIS-HCL (PH 8.5), 36% (V/V) PEG 400, 200 MM NA-CITRATE AND 10 MM CMP FOR FOUR DAYS |