3TMY

CHEY FROM THERMOTOGA MARITIMA (MN-III)

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1995-09-15
Detector	XUONG-HAMLIN MULTIWIRE
Spacegroup name	P 21 21 21
Unit cell lengths	109.658, 64.719, 33.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
Rwork	0.182
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tmy
RMSD bond length	0.016
RMSD bond angle	2.440
Data reduction software	SDMS ((DCREDUCE))
Data scaling software	SDMS ((SCALE))
Phasing software	AMoRE
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.370
High resolution limit [Å]	2.200	2.200
Rmerge	0.090	0.222
Number of reflections	12436
<I/σ(I)>	6.8	2.5
Completeness [%]	97.0	94
Redundancy	3.7	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7		0.2M AMMONIUM SULFATE, 0.1M HEPES BUFFER (PH 7.0), 25% PEG 4000, 15MM MANGANESE CHLORIDE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	magnesium chloride	15 (mM)
3	1	reservoir	ammonium sulfate	0.2 (M)
4	1	reservoir	HEPES	0.1 (M)
5	1	reservoir	PEG4000	25 (%)