5VPR

Crystal Structure of Cysteine desulfurase from Elizabethkingia anophelis with covalently bound pyridoxal phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	84.180, 82.040, 70.120
Unit cell angles	90.00, 99.44, 90.00

Refinement procedure

Resolution	35.282 - 2.050
R-factor	0.1724
Rwork	0.170
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5j8q
RMSD bond length	0.006
RMSD bond angle	0.813
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.282	35.282	2.100
High resolution limit [Å]	2.050	9.170	2.050
Rmerge	0.041	0.024	0.523
Rmeas	0.048	0.029	0.611
Total number of observations	106003
Number of reflections	29282	281	2197
<I/σ(I)>	18.22	33.61	3.21
Completeness [%]	99.0	78.5	99.7
Redundancy	3.62	2.947	3.748
CC(1/2)	0.999	0.997	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	ElanA.01104.a.B1.PW37984 at 18.07 mg/ml mixed 1:1 with Morpheus(a7): 10% (w/v) PEG-4000, 20% (v/v) glycerol, 0.1 M MOPS/HEPES-Na, pH = 7.5, 0.03 M each magnesium chloride and calcium chloride, harvested directly.