5B7S

Apo structure of Cysteine Desulfurase from Thermococcus onnurineus NA1

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-11
Detector	ADSC QUANTUM 270
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	67.006, 92.527, 145.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.360 - 2.580
R-factor	0.2078
Rwork	0.203
R-free	0.29510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t3i
RMSD bond length	0.013
RMSD bond angle	1.810
Data reduction software	DENZO
Data scaling software	DENZO
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.580	2.600
Rmerge	0.119	0.413
Number of reflections	28968
<I/σ(I)>	29.1	7.1
Completeness [%]	99.9	100
Redundancy	6.8	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	0.03M MgCl2, 0.03 M CaCl2, 15% (v/v) glycerol, 15% (w/v) PEG 4000, 0.1M Tris (base)/ Bicine pH 8.5