5G40
Crystal structure of adenylate kinase ancestor 4 with Zn and AMP-ADP bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-29 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.046, 70.127, 40.270 |
Unit cell angles | 90.00, 103.78, 90.00 |
Refinement procedure
Resolution | 39.110 - 1.690 |
R-factor | 0.16125 |
Rwork | 0.158 |
R-free | 0.23376 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1p3j |
RMSD bond length | 0.014 |
RMSD bond angle | 1.818 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.110 | 1.720 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmerge | 0.040 | 0.500 |
Number of reflections | 21392 | |
<I/σ(I)> | 13.9 | 2 |
Completeness [%] | 90.2 | 87.1 |
Redundancy | 3.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.5 UL OF PROTEIN MIXTURE (20 MG/ML ADK ANCESTOR 4 AND 20 MM MGADP IN 40 MM MOPS PH 7.0, 50 MM NACL, 2 MM TCEP) WAS MIXED WITH 0.5 UL OF MOTHER LIQUOR (0.1 M HEPES PH 7.5, 1.4 M SODIUM CITRATE TRIBASIC DIHYDRATE). CRYSTALS WERE GROWN BY SITTING DROP METHOD AT 18C. |