7K0A
Puromycin N-acetyltransferase in complex with acetylated puromycin and CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 36.596, 141.509, 98.985 |
Unit cell angles | 90.00, 100.34, 90.00 |
Refinement procedure
Resolution | 42.488 - 2.000 |
Rwork | 0.207 |
R-free | 0.24050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7k09 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.621 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.750 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.376 | |
Rmeas | 0.400 | |
Rpim | 0.136 | 0.608 |
Number of reflections | 33396 | 2460 |
<I/σ(I)> | 7.7 | 2.3 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 17.2 | 15.2 |
CC(1/2) | 0.989 | 0.857 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.26 | 281 | 9.9% (w/v) 1,6-hexanediol, 1.59 M ammonium sulfate, 7.4 % (v/v) polyethylene glycol 400, 0.1 M HEPES pH 8.26, 0.5 n-hexyl-b-D-glucopyranoside |
1 | VAPOR DIFFUSION, SITTING DROP | 8.26 | 281 | 9.9% (w/v) 1,6-hexanediol, 1.59 M ammonium sulfate, 7.4 % (v/v) polyethylene glycol 400, 0.1 M HEPES pH 8.26, 0.5 n-hexyl-b-D-glucopyranoside |
1 | VAPOR DIFFUSION, SITTING DROP | 8.26 | 281 | 9.9% (w/v) 1,6-hexanediol, 1.59 M ammonium sulfate, 7.4 % (v/v) polyethylene glycol 400, 0.1 M HEPES pH 8.26, 0.5 n-hexyl-b-D-glucopyranoside |