4MPD
Staphyloferrin B precursor biosynthetic enzyme SbnB bound a-ketoglutarate and NAD+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-18 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.931, 61.931, 151.718 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.249 - 2.101 |
R-factor | 0.2329 |
Rwork | 0.229 |
R-free | 0.26580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.701 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.5.3) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.250 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.108 | 0.051 | 0.464 |
Number of reflections | 15508 | ||
<I/σ(I)> | 8.2 | ||
Completeness [%] | 85.9 | 94.6 | 90.4 |
Redundancy | 6.9 | 8.1 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M Hepes, 0.2 M MgCl2, 29-33% PEG 400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |