4XIJ
Crystal Structure of a Shikimate 5-dehydrogenase from Mycobacterium fortuitum Determined by Iodide SAD Phasing
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-01-02 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 65 |
Unit cell lengths | 93.860, 93.860, 53.080 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.643 - 1.450 |
R-factor | 0.1393 |
Rwork | 0.137 |
R-free | 0.17680 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.589 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 6.480 | 1.490 |
High resolution limit [Å] | 1.450 | 4.590 | 1.450 |
Rmerge | 0.038 | 0.022 | 0.457 |
Rmeas | 0.040 | 0.022 | 0.548 |
Total number of observations | 436211 | ||
Number of reflections | 46557 | 1002 | 2974 |
<I/σ(I)> | 34.12 | 135.82 | 2.16 |
Completeness [%] | 98.3 | 100 | 85.4 |
Redundancy | 9.4 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | at 47.4mg/ml, mixed 1:1 with MCSG1(e1): 0.1M HEPES: NaOH, pH=7.5, 2M Ammonium Sulfate |