2HKX

Structure of CooA mutant (N127L/S128L) from Carboxydothermus hydrogenoformans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-11
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	52.115, 92.873, 95.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.750 - 2.300
R-factor	0.22968
Rwork	0.227
R-free	0.28592
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.595
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.049	0.711
Number of reflections	20742
<I/σ(I)>	11.1	1.5
Completeness [%]	93.3	86
Redundancy	5.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	20% PEG 4000, 0.05M potassium phosphate, 0.5M potassium Chloride, 10% Isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K