2Z0K

Crystal structure of ProX-AlaSA complex from T. thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-06-13
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	31.426, 50.522, 81.281
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.670 - 2.200
R-factor	0.179
Rwork	0.179
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cx5
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.030	2.280
High resolution limit [Å]	2.190	2.200
Number of reflections	6636
<I/σ(I)>	32.3
Completeness [%]	93.8	77.5
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	30% PEG3350, 0.1M Hepes, 30mM AlaSA, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K