4GMF
Apo Structure of a Thiazolinyl Imine Reductase from Yersinia enterocolitica (Irp3)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-29 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.000034,0.97915,0.97944,0.91837 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.871, 93.903, 181.121 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.970 - 1.850 |
R-factor | 0.19791 |
Rwork | 0.196 |
R-free | 0.24241 |
Structure solution method | MAD |
Starting model (for MR) | SeMet Irp3 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.008 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.030 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 122197 | |
<I/σ(I)> | 12.4 | 3.1 |
Completeness [%] | 99.8 | 100 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 303 | 0.1 M HEPES pH 7.3, 32% PEG 3350 (w/v), 0.25 M lithium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 303K |