1MTP

The X-ray crystal structure of a serpin from a thermophilic prokaryote

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-03-14
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	41.936, 65.595, 124.737
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.500
Rwork	0.195
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hle
RMSD bond length	0.004 *
RMSD bond angle	1.330 *
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.500
Rmerge	0.043 *	0.199 *
Total number of observations	179258 *
Number of reflections	54979 *
Completeness [%]	98.1 *	92 *
Redundancy	3.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	294	PEG 4000, 0.1 M Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	PEG4000	20-30 (%)
3	1	reservoir	Tris-HCl	0.1 (M)	pH8-9