2P9J

Crystal structure of AQ2171 from Aquifex aeolicus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-12-18
Detector	MARRESEARCH
Wavelength(s)	0.97930, 0.90000, 0.97945
Spacegroup name	P 42
Unit cell lengths	121.325, 121.325, 86.897
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.920 - 2.400
R-factor	0.21894
Rwork	0.216
R-free	0.26771
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.219
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.920	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.079	0.353
Number of reflections	49520
<I/σ(I)>	25.2	4.39
Completeness [%]		100
Redundancy	7.6	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.69	291	25% w/v PEG 4000, 0.1 M Na Acetate, Acetic acid pH 4.69, 0.2M Ammonium Acetate, MICROBATCH, temperature 291K