1ZZG

Crystal structure of hypothetical protein TT0462 from Thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	103
Detector technology	IMAGE PLATE
Collection date	2005-05-02
Detector	RIGAKU RAXIS V
Spacegroup name	P 21 21 2
Unit cell lengths	108.648, 131.950, 64.709
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.540 - 1.950
R-factor	0.185
Rwork	0.185
R-free	0.19300
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.058	0.581
Number of reflections	74115
<I/σ(I)>	19.1	3.57
Completeness [%]	99.6	98.5
Redundancy	9.5	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.6	291	PEG 4000, 2-propanol, TRIS, sodium citrate, sodium chloride, pH 5.6, MICROBATCH, temperature 291K
1	MICROBATCH	5.6	291	PEG 4000, 2-propanol, TRIS, sodium citrate, sodium chloride, pH 5.6, MICROBATCH, temperature 291K
1	MICROBATCH	5.6	291	PEG 4000, 2-propanol, TRIS, sodium citrate, sodium chloride, pH 5.6, MICROBATCH, temperature 291K