1VZ4

Fe-Succinate Complex of AtsK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	I 21 21 21
Unit cell lengths	71.845, 141.000, 160.149
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.23
Rwork	0.227
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oih
RMSD bond length	0.029
RMSD bond angle	2.418
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0003)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.081	0.128
Number of reflections	27572
<I/σ(I)>	24	9.53
Completeness [%]	95.9	76.4
Redundancy	3.8	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		25 MM AMMONIUM SULFATE 175 MM SODUIM SUCCINATE PH 5.6, 15 % PEG 4000 30 % GLYCEROL SOAKING IN 2 MM FE(NH4)2(SO4)2X6H2O