4C5W
Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Ethyldimethylammonio)butanoate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-01 |
Detector | MARRESEARCH |
Spacegroup name | H 3 2 |
Unit cell lengths | 107.140, 107.140, 205.290 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.850 - 1.700 |
R-factor | 0.16547 |
Rwork | 0.164 |
R-free | 0.19978 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o2g |
RMSD bond length | 0.010 |
RMSD bond angle | 1.384 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.950 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.080 | 0.590 |
Number of reflections | 50058 | |
<I/σ(I)> | 9.1 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 15 % PEG 3350, 1 % 1.6-DIAMINOHEXANE, 200 MM AMMONIUM CITRATE PH 7.0, 10 MM ZNSO4, 8 MM N-OXALYLGLYCINE, 4 MM INHIBITOR, PROTEIN 6.5 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K, TIME 2-7 DAYS |