1A33

PEPTIDYLPROLYL ISOMERASE, CYCLOPHILIN-LIKE DOMAIN FROM BRUGIA MALAYI

Experimental procedure

Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	1996-07
Detector	MACSCIENCE
Spacegroup name	P 41 21 2
Unit cell lengths	57.900, 57.900, 140.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.150
R-factor	0.169
Rwork	0.169
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cwa
RMSD bond length	0.012
RMSD bond angle	25.750 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.050	0.080
Total number of observations	84704 *
Number of reflections	13361
<I/σ(I)>	36	22
Completeness [%]	98.6	98.6 *
Redundancy	6.4	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6	19 *	THE INITIAL 6 UL DROP CONSISTED OF 50 MM MES-NAOH PH 6.0, 0.9 M (NH4)2SO4, 1MM PROTEIN. THE 1 ML RESERVOIR SOLUTION CONSISTED OF 100 MM MES-NAOH PH 6.0, 1.8 M (NH4)2SO4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	14 (mg/ml)
2	1	reservoir	MES-NaOH	100 (mM)
3	1	reservoir	ammonium sulfate	1.8 (M)
4	1	drop	MES-NaOH	50 (mM)
5	1	drop	ammonium sulfate	0.9 (M)