6Z6R
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, N-oxalyl-alpha-methylalanine, and factor X substrate peptide fragment(39mer-4Ser)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-05-14 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97628 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.852, 90.590, 122.361 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.700 - 2.130 |
R-factor | 0.2131 |
Rwork | 0.212 |
R-free | 0.24240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jtc |
RMSD bond length | 0.014 |
RMSD bond angle | 1.615 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.700 | 2.290 |
High resolution limit [Å] | 2.130 | 2.130 |
Rmerge | 0.175 | 2.090 |
Number of reflections | 21010 | 1051 |
<I/σ(I)> | 11.1 | 1.3 |
Completeness [%] | 67.2 | 19.2 |
Redundancy | 13.2 | 12.9 |
CC(1/2) | 0.998 | 0.493 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 100 mM Bis Tris propane, 200 mM sodium bromide, 20% w/v PEG 3350, 1 mM manganese chloride, 2 mM N-oxalyl-alpha-methylalanine, 18 mg/ml protein |