1BSP

THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1996-05
Detector	RIGAKU RAXIS
Spacegroup name	P 21 21 21
Unit cell lengths	57.223, 97.438, 118.019
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.181
Rwork	0.181
R-free	0.26000
Structure solution method	MIR/MR
Starting model (for MR)	HOMOLOGY MODEL BASED ON 1TJS
RMSD bond length	0.006
RMSD bond angle	24.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.843)
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.095	0.312
Total number of observations	131066 *
Number of reflections	31172
<I/σ(I)>	11.4	3.1
Completeness [%]	90.8	88.8
Redundancy	4.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4 *	22 *	pH 6.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	Tris-HCl	20 (mM)
3	1	reservoir	EDTA	0.1 (mM)
4	1	reservoir	dithiothreitol	1 (mM)